http://www-jmg.ch.cam.ac.uk/CIL/ Chemical Informatics Letters - the latest news in chemical informatics, links to relevant web sites, analysis and discussion en Copyright (c) 2000-2007 J M Goodman Fri Aug 24 22:45:34 BST 2007 http://www-jmg.ch.cam.ac.uk/CIL/cil.gif http://www-jmg.ch.cam.ac.uk/CIL/ http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#24 PhysChem Forum is a forum for scientists doing practical research and analytical work. ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#23 PDFBox is an open source Java PDF library for working with PDF documents. This may make it easier to extract information from PDF files.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#22 The DMCA is a US copyright law which criminalises the act of circumventing access control, even without copyright infringement. This can be used to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#21 CogMap is an organization chart wiki, which helps people to understand organizations. It has been applied to the Beilstein database to show... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#20 How can you find out what is in a PhD thesis? Most British PhD theses are available, for a few Euros, through the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#19 SciVee and ScienceHack both have collections of videos of scientists explaining aspects of chemistry, physics, biology, etc.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#18 Collaborative Drug Discovery enables scientists to archive, mine, and collaborate to more effectively develop new drug candidates for commercial and humanitarian markets. Free trial access... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#17 The Supernatural database contains almost forty-six thousand molecules. It is managed by the Structural Bioinformatics Group at Berlin.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#16 Can academic libraries afford open-access journals? Open access journals are welcomed because they do not require subscription payments. However, the cost is generally transferred to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#15 The Red Cross symbol has been patented, and Johnson and Johnson has sued the American Red Cross.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#14 A research project at CMU uses a library of images to fill gaps in pictures with parts missing. The method is not infallible, but... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n2.html#13 CAS will start using 10-digit registry numbers from January 2008, to allow for the huge number of new molecules being added to the database.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#12 THESEUS is a research program, sponsored by the German government, which aims to develop better ways of using the knowledge available on the Internet.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#11 WorldWideScience.org is a global science gateway-accelerating scientific discovery and progress through a multilateral partnership to enable federated searching of national and international scientific databases.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#10 This sudden announcement has only minor implications for chemistry, as the Vatican chemistry collection is small. Other routes will need to be found to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#9 SOMA2 is a modelling environment for computational drug discovery and molecular modelling, which works through a web-browser.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#8 A computational organic chemistry blog from Professor Steven Bachrach, to accompany his book.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#7 The list of the world's top 500 computers has been updated. First position is the IBM BlueGene at Lawrence Livermore National Laboratory, which is... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#6 A database of crystal structures, gathered from web resources, containing about sixty thousand structures, and available from the Unilever Centre for Molecular Science Informatics.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#5 An overview of scholarly societies... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#4 Libertas Academica publishes open access journals, including Perspectives in Medicinal Chemistry and Analytical Chemistry Insights. The latter has... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#3 The Open Library is a project to build an open, free internet archive of every book every published. It has some way still to go... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#2 The unfair use of copyright material is an important issue. Copyfraud, the false claim of copyright, is also a problem. In particular, factual data is... http://www-jmg.ch.cam.ac.uk/CIL/cil_v15n1.html#1 Optical Structure Recognition Application (OSRA) is a free program which converts pictures of molecules (in most common formats, including PDF, GIF, JPEG, PNG, TIFF)... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#72 Elementeo is a chemical card game, created by a team of school children, aged about thirteen. ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#71 AutoDock, the molecular docking program, is now available under the GPL.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#70 The semantic web may make knowledge accessible to software agents, and despite many challenges ahead, it may become the way everybody works.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#69 Moodle is an open-source course management system, which helps create on-line learning communities. It has some information on Chemistry/Biochemistry.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#68 ChemRank allows you to add papers to a database, make comments, and vote on how good it is. This should allow a... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#67 The Hirsch index, h, is defined as the number of papers from a particular author or group with h or more citations. It is... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#66 Nature Precedings (not 'proceedings') is a place for researchers to share pre-publication research, supplementary findings, and other scientific documents. Submissions are screened but do... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#65 Scientific Commons aims to provide comprehensive and freely available access to scientific knowledge. The home-page suggests it currently links to over fifteen... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#64 The USPTO is experimenting with peer review for patents. This might help to prevent court cases on patent validity.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#63 The Gilson Group, at the University of Maryland Biotechnology Institute, has developed a web-accesible database of binding affinities for biomolecules, modified... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#62 The DrugBank database is a bioinformatics and cheminformatics resource that combines drug data with drug target information. The database contains nearly over four thousand drug... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n6.html#61 c2k is continuing to provide up to date information about chemistry departments, learned societies and chemistry journals around the world. The last report was... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#60 Lawson numbers, developed by Alexander Lawson, divide the Beilstein database up into related groups of molecules.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#59 The Brusssels Declaration (available as a PDF) was issued in April 2007 by "the international scientific, technical and medical (STM) publishing community" expresses... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#58 How are all the subjects in chemistry connected? Here is a Mind map which suggests a way of connecting subjects. This is much simpler... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#57 Researchers at the DERI have searched more than seven billion RDF statements in a split second (details in a PDF). This has implications... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#56 With a new release of Mathematica, many demonstrations are available on the web. Some are relevant to chemistry, including protein visulisation, spherical... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#55 The CICC at Indiana University combines grid computing with... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#54 The UK-QSAR and ChemoInformatics Group has updated its website.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#53 Macs in Chemistry has released a tutorial on creating molecule databases and searching for substructures using fingerprints.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#52 Eigenfactor ranks journals much as Google ranks websites using citations to evaluate the importance of each journal.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#51 Some papers are not read because they are written badly. Whether or not they are open access may also have an effect. The... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#50 ASDL is a peer-reviewed digital library for the analytical sciences.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n5.html#49 University and college courses in chemical informatics were surveyed in Chem. Inf. Lett. 2006, 12, #5, 49. There are now a large number of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#48 Just more than a century after the Mendenhall Order which adopted the metre and kilogram as the fundamental standards of length and mass in... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#47 PCC is free software for searching and integrating chemical structures and scientific data, but only runs on PCs.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#46 QSAR World is a free online resource dedicated to QSAR from Strand Life Sciences.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#45 MDL/Elsevier has acquired the Beilstein Database (but not the Beilstein Institute). Both the production and marketing of the Beilstein Database have been managed by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#44 CHEMAPPS is a software company which produces SARvision for the analysis of chemical data sets. It also makes available a glossary for medicinal... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#43 VISTA and Ingenta have merged to create Publishing Technology plc, which will be the "largest provider of specific software solutions to the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#42 BioMed Central, PhysMath Central and Chemistry Central have started blogs.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#41 RefViz from Thomson searches and analyses references visually for major themes. A free trial is available.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#40 ChemSpider makes available a database of chemical structures and predicted properties as well as providing access to a series of property prediction algorithms. Its... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#39 Professor Nina Nikolova-Jeliazkova from the Bulgarian Academy of Sciences works on a number of projects in chemical informatics including... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#38 IBM's Chemical Kinetics Simulator program (CKS) is available for downloading from the IBM website and can simulate complex chemical kinetics in gas, solution... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n4.html#37 A new judgement from the U.S. Supreme Court may make it easier to challenge patents by requiring them not to be obvious.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#36 How simple is XML? XML::Simple is available to interface Perl and XML, as does XML::LibXML and other resources. The large number of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#35 The Wikipedia has a list of unsolved problems in chemistry. Some of these problems, at the time of writing, are simply misunderstandings or so... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#34 How much source code is available for chemistry-related programs? How much of this can be retrieved easily? SourceForge currently has more than 260 chemistry... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#33 The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body (... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#32 Thirteen of the fourteen laboratory notebooks by Lavoisier are now available on the website of Panopticon Lavoisier.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#31 Novo Nordisk announced it wil focus all of its research and development efforts on protein-based therapeutics, a market that is projected to increase... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#30 Fabbers aer machines which can construct three-dimensional objects on the desktop. Unfortunately, they are a long way from fabber-molecular.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#29 Is the Wikipedia reliable enough? If not, try the Scholarpedia or the Citizendium, which may have systems to be more reliable,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#28 Submission, Preservation and Exposure of Chemistry Teaching and Research Data (SPECTRa) is a project to develop tools to deposit chemistry data in digital repositories. Other... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#27 Since 1907 (PDF), CAS has indexed and summarized chemistry-related articles, and has reported on over thirty million substances (statistical summary... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#26 The University of Alberta library blog has an article on reasons for open access. The Office of Scholarly Communication and Publication at the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n3.html#25 A list of Japanese Chemistry databases is available from the Science Links Japan portal.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#24 XDrawChem is a two-dimensional molecule drawing program for Unix operating systems, last updated in 2005.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#23 Programs are available for the calculation of the pKa of molecules, usually based on the correlation of sigma constants of functional groups with pKa. The... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#22 The chemical structure look-up service (CSLS... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#21 A software environment for statistical analysis, molecular viewing, descriptor generation, and similarity search. The last update was released in March 2005, from the National... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#20 How good are computers at designing syntheses for molecules? A number of programs have been described recently:... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#19 Changes in search engines since Chem. Inf. Letters 2006, 12, 19 include a list of a hundred new search engines. The website... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#18 Google is now so powerful that it might be considered to be the internet's front page. If a site is not listed on Google,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#17 The Winter Newsletter of the Chemical Structure Association Trust is now available.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#16 e-Therapeutics is a systems biology drug discovery company, whose CEO is Professor Malcolm Young from Newcastle University.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#15 The UK government has run almost a thousand websites, mainly in the .gov.uk domain. More than five hundred will now be closed, and only... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#14 Inpharmatica, which uses informatics in medicinal chemistry and ADME to help drug discovery, has been acquired by Galapagos, a genomics-based drug discovery company.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n2.html#13 The editors of Nature have ended their experiment in open review, which allowed authors who passed an initial editorial assessment to post their papers on-line... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#12 Arizona State University libraries have constructed an index to physical and chemical property data.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#11 Molecular workbench can be launched directly. It can be used to visualise simulations for science education.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#10 The National Library of Medicine has just released a new... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#9 Tripos has sold its Discovery Research section to Provid Pharmaceuticals and its Discovery Informatics section to Vector Capital.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#8 JISC, the UK Joint Information System Committee, has a project to encourage interactions between repositories of research publications and repositories of primary research data.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#7 The program system MOLGEN calculates all isomers that correspond to a given molecular formula. A demo version and an on-line version are available for... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#6 Suppose there were a DNA sequence so dangerous that it killed any organism that contained it. If it existed, it could be found be looking... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#5 The Association for... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#4 George Karypis, an Associate Professor at the Department of Computer Science and Engineering at the University of Minnesota in the Twin Cities of Minneapolis and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#3 Jimmy Wales, the founder of Wikipedia, is planning a commercial, user-driven search engine, with user preferences being used to rank sites.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#2 Biomolecular Explorer 3D is designed to give high school biology teachers easy access to interactive 3D structures of biologically significant molecules.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v14n1.html#1 The Computational Crystallography Toolbox is an open source component of the PHENIX (Python-based Hierarchical ENvironment for Integrated Xtallography) project to automate macromolecular structure... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#72 Ab initio calculations. A software company, Computing for Science, now administers GAMESS-UK, which remains free to UK academics.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#71 Free software project for atom scale simulation, which will incorporate... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#70 Relativistic ab initio molecular calculations developed at the University of Southern Denmark by Hans Jorgen Aagaard Jensen and others. Latest version is Dirac04,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#69 A DFT code from the University of Montreal. Version 2.3 was released in November 2006.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#68 A quantum chemistry program using SCF, MP2, MCSCF or CC wave... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#67 A plane wave/pseudopotential implementation of Density Functional... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#66 COLUMBUS provides high-level multi-reference ab initio molecular electronic structure calculations, developed by Hans Lischka at the University of Vienna, amongst others. The... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#65 The CHARMM Development Project is a network of developers working with Professor Martin Karplus. CHARMM is available for a $600 licensing fee. Latest release:... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#64 B, formerly Biomer; Free; Source Code; Java. Has moved from its old... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#63 A molecular mechanics and dynamics program written in C by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#62 Originally developed by Peter Kollman, and now maintained by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n6.html#61 ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#60 Living things nearly always depend, directly or indirectly, on solar energy in order to gain the energy to live. Bacteria have recently been discovered that... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#59 Sir Tim Berners-Lee defines Web Science as the study of the web.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#58 Many databases of Material Safety Data Sheets are available on-line, and some of these are free. Most have disclaimers about the limited liability of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#57 MEDPHYT is a database for plants of medicinal interest, developed by the Beilstein Institute.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#56 A comprehensive collection of Charles Darwin's work will be available online from the University of Cambridge, complementing the existing online collection of Darwin's... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#55 Comparison of different virtual screening methods is hard, partly because there is no agreement on an ideal diverse test set. Cooperation may be the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#54 The Higher Education Funding Council for England which supports English universities, has set aside $pound; 75 million over the next three years to support... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#53 Studies of nanotechnology issues from the Woodrow Wilson International Center for Scholars discuss the benefits and possible dangers of nanotechnology.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#52 A database of modular polyketide synthases, from the National Institute of Immunology in New Delhi.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#51 The Comparative Toxicogenomics Database (CTD), from the Mount Desert Island Biological Laboratory and funded through the NIH, elucidates molecular mechanisms by which environmental... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#50 How to get the most out of PubChem? On-line training is available.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n5.html#49 The IUPAC Compendium of Chemical Terminology, known as the Gold Book is now available on-line.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#48 The 150th anniversary of William H. Perkin's discovery of mauve is recorded by ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#47 This list of abbreviations related to plastics has 272 entries, of which some have two meanings, including ACS, CM, PA, PAEK, PB, SI, and TEEE.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#46 The internet cannot grow forever, and there are indications it is already slowing down (eg Chemistry on the world-wide-web: a ten year experiment. DOI:... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#45 How can animals detect magnetic fields? Cryptochromes may hold the answer.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#44 Publishers are moving towards open access publishing models. The ACS are offering 'Author Choice', the RSC are offering 'Open Science', and Wiley... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#43 ClinicalTrials.gov provides regularly updated information about clinical research in the USA. Other resources are also available, including Pharmaprojects,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#42 Companies are interested in improving foods through the use of nanotechnology.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#41 The first report of the IUPAC recommendations on graphical representation standards for chemical structure diagrams, is now been available.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#40 The Royal Society has made its archive of publications (1665 - present)... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#39 A Wiki is user-updateable web page. The most famous is the Wikipedia. A Chemical Information Sources Wiki is now available, based on... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#38 Professor Shuguang Zhang from MIT has developed a polypeptide which self-assembles and can stop bleeding.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n4.html#37 Professor Robert Schrag was selling his lectures on-line, but has been asked to stop by his university while it develops a policy for... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#36 depth-first... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#35 chemblaics... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#34 Sceptical Chemist (Nature)... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#33 tenderbutton (closing October 2006)... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#32 alphabetically by URL... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#31 The CoEPrA (Comparative Evaluation of Prediction Algorithms) 2006 competition started on April 17, 2006, providing a test for classification and regression algorithms in chemical... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#30 ChemRefer searches the web for chemical information from publications that provide free access to the full text of their articles.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#29 The Science Navigation Group has announced the launch of Chemistry Central, an open access website for chemists. The same group also produces BioMed... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#28 The new release includes a validation protocol and InChI to structure conversion (connection tables without coordinates).... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#27 A hundred scientists from Europe and America met in Obernai in 2006, and discussed research, teaching and industrial collaboration in chemical informatics. This lead to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#26 There are a number of popular 'molecule of the month' websites, including ones at Bristol, Oxford and Prous Science. The RCSB... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n3.html#25 In the UK, homeopathic remedies will only have to show that they are safe, and not that they are efficacious, in order to be licensed.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#24 Open J-Gate is an electronic gateway to global journal literature in open access domain. It currently lists 3727 open access journals, with links to over... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#23 BKchem is a free chemical drawing program, that can create 2D structures from InChI names, without needing auxiliary information. The PubChem search... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#22 Information from the RSC's Chemistry World is now available as an... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#21 The European Chemicals Bureau is a focal point for data and the assessment procedure on dangerous chemicals or data and the assessment procedure... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#20 Google has announced it will host open-source projects as part of its Google Code developers' network.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#19 It has been reported that the USA will give up some of its control over the internet, although it will keep control of the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#18 This directory, run by the Lund University Libraries aims to increase the visibility and ease of use of open access scientific... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#17 Where can you find solubility data? NIST might be able to help, or the University of Alberta. Solubility is very hard to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#16 The poem, Publish or Perish, by Steve Harnad, a proponent of Open Access, has won a prize in the Euroscience Open... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#15 A study by Albert-Laszlo Barabasi of the University of Notre Dame, and colleagues, suggests that the number of people reading news stories on the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#14 There is too much data, and this is hindering the progress of science. This article describes Purdue University's development of a data repository model... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n2.html#13 Intute is a free online service providing you with access to the very best Web resources for education and research, replacing PSIgate and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#12 The BBC is opening a section of its news archives as an experiment. There are terms and conditions for using them, but the BBC... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#11 The Pigmentum Project is a programme to catalogue data on historical pigments. The Pigment Compendium is a reference work on the historical... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#10 This company, run by Chris Swain provides medicinal chemistry consulting services, and links to resources, including iBabel, a Mac OS X graphical... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#9 The preservation of digital data is a headache for modern historians.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#8 This article (abstract) shows how major databases give inconsistent results for citations. This is partly because of differing treatment of accents... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#7 The list of the world's top 500 computers has been updated. First position goes to IBM's BlueGene, which is used for quantum chemistry and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#6 Nature reports that the Public Library of Science is losing money. Its publishing model has just been adjusted to raise more... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#5 MEDLINE (Medical Literature Analysis and Retrieval System Online) is the U.S. National Library of Medicine's main bibliographic database with references to journal articles... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#4 The Royal Society has started a trial of an open access journal service, called EXiS Open Choice (FAQ). This complements the Royal Society's... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#3 Does electronic access to journals restrict access for visitors? When journals were all printed, it was possible to go to libraries and read them. Electronic... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#2 A successor to SwaN-MR - and MacOS X counterpart to MestReC windows program.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v13n1.html#1 International Tables for Crystallography:... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#72 The discussions between the ACS and the NIH over PubChem were last mentioned in Chem. Inf. Lett. 2005, 11, #4, 48. A... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#71 Eugene Garfield founded the Institute for Scientific Information (now Thomson Scientific). A collection of his essays and comments are available, including... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#70 ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#69 Is it possible to find information from noisy data? Ramani Pilla and colleagues from Case Western Reserve, have reported a new approach in... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#68 CAS Registry Numbers are regulated, so databases may use no more than ten thousand of them before paying for a license.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#67 SpectroscopyNow (Chem. Inf. Lett. 2002, 5, #1, 3) and separationsNOW, two free websites from Wiley, have been relaunched.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#66 The Electrochemical Society has announced the opening of the ECS Digital Library... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#65 Chmoogle is now eMolecules. The site claims to put 'the world's most powerful cheminformatics system into the hands of the "common chemist"' although... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#64 InterDok has announced its Directory of Published Conference Proceedings is now free.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#63 The Cornyn-Lieberman bill (PDF) requires the NIH and other USA-government agencies to create an on-line list of all publicly accessible research papers. Some... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#62 Google Trends gives a measure of the popularity of particular subjects amongst all Google searches. For example, it is possible to compare chemistry,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n6.html#61 Chemistry 2000 (c2k) is continuing to provide up to date information about chemistry departments, learned societies and chemistry journals around the world. Since the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#60 The Food Standards Agency is an independent UK Government department set up in 2000 to protect the public's health and consumer interests in relation to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#59 ChemAxon has announced free access to a cheminformatics toolkit for non-commercial freely accessible web resources (Press release: PDF).... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#58 An article in the Economist discusses the effectiveness of open-source software. Despite problems with the model, the open-source approach has man advantages.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#57 Crystallisation is often the rate-determining step in the analysis of proteins and other molecules, as there are no procedures which guarantee crystal production. A group... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#56 The development of new drug therapies is very hard, and sharing data can make commercial reward harder to obtain. However, it may make it easier... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#55 How accurate is the Wikipedia? The quality of the information usually seems high. Professor Martin Walker of the State University of New York... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#54 It is easier to find too much information than the right information. This article discusses the issue, but omits the Experimental Data Checker,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#53 Entertaining headlines catch people's attention, but not search engines. An article in the New York Times suggests that search engines favour simple headlines.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#52 In response to a question from an MEP, the European Commission has indicated that software is not patentable;... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#51 A new antibiotic, Platensimycin, has been discovered which is effective against MRSA.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#50 The Cambridge Healthtech Institute conference on drug design starts on June 14th. A list of other chemical informatics related conferences is available.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n5.html#49 University and college courses in chemical informatics were surveyed in Chem. Inf. Lett. 2005, 10, #5, 50. There are now a large number of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#48 Chemical Informatics Letters has a new conference list, focussed on chemical informatics and related ares. If you want to suggest a conference is included in... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#47 The CoEPrA 2006 competition is now open. CoEPrA (Comparative Evaluation of Prediction Algorithms) is a modelling competition to provide objective testing for classification and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#46 California is considering insisting that copyright law is taught to students, as the USPTO considers improving software patents. It has been suggested that... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#45 How long will on-line access continue? What happens when journals, or even publishers, cease to operate? Can long-term access to information be guarantied?... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#44 The most beautiful websites are not necessarily the most successful. This article suggests that content is more important than presentation, and also may convey... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#43 Ann Nalley, the ACS president, has written to members with her views on open access publishing. She asks "Is this change for its own sake?"... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#42 In May 2006, registration will open for the Eleventh Pirelli INTERNETional Award, an international... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#41 As well as being a mathematician, physicist and Member of Parliament, Isaac Newton studied chemistry.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#40 The NIH called for proposals for cheminformatics reseach, and six centres have started cheminformatics centres as a result:... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#39 Science has articles on retracted papers. What happens after papers are retracted? They may continue to be cited. Publishers do not have a consistent... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#38 Nature has changed from one journal into a family of thirty journals, at correspondingly increased cost to libraries.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n4.html#37 The CODATA Workshop on Strategies for Permanent Access to Scientific Information in Southern Africa: Focus on Health and Environmental Information for Sustainable Development, has made... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#36 On 9 February 2006, ICSU President Goverdhan Mehta, FRS, was initially refused a visa to the USA. The Washington Post reports... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#35 On 9 February 2006, ICSU President Goverdhan Mehta, FRS, was initially refused a visa to the USA. The Washington Post reports... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#34 How good is Google Scholar? A survey of citation counts shows it compares favourably with the Web of Science, but... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#33 Hindawi Publishing has embraced Open Access... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#32 How accurate is PubChem? How can this be tested? A search for 'acetone' finds acetone, and Acetone ketazine and Acetone cyanhydrin. A search for mannitol... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#31 PSIgate is changing as part of a restructuring of the Resource Discovery Network (RDN), and becoming Intute.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#30 The Royal Society of Chemistry has announced free access... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#29 Elsevier MDL and NIH are continuing to collaborate on PubChem following the earlier contribution of XPharm pharmacological data.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#28 Bedrich Kosata (the author of BKChem) has a new site, including an on-line converter which generates pictures (and molfiles) from INCHI and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#27 "No scientific discovery is named after its original discoverer." Chemical examples may be found amongst named reactions.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#26 The "world's most comprehensive catalog of information on proteins", now... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n3.html#25 This new journal has an unusual system of peer review - the process will be open rather than anonymous, and the reviewers' reports will be... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#24 ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#23 Many programs are available for the calculation of the pKa of molecules, usually based on the correlation of sigma constants of functional groups with pKa.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#22 A database that links evolutionarily related sequences and structures from mechanistically diverse superfamilies of enzymes to their chemical reactions.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#21 This Protein Information Management System is sponsored by the BBSRC.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#20 ACS Publications has recently modified its electronic reprint policy. Authors may distribute fifty free electronic reprints for the first year after publication. After... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#19 New search engines since Chem. Inf. Letters 2004, 8, 7 include Amazon's a9, which finds places and gives pictures of the streets.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#18 IUPAC has made provisional recommendations for Quantities, Units and Symbols in Physical Chemistry, a Glossary of Terms Relating to Pesticides and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#17 This December survey of a billion web pages provides statistics on the types and styles of mark-up currently favoured. Most web pages have less... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#16 This directory of open access repositories became available in January (Press release: PDF) currently contains 353 entries, all of which have been checked. Over... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#15 An index of chemical entities, from meta-synthesis, with about six thousand entries.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#14 The European ligand bank: a database of ligands for catalytic reactions in synthetic organic chemistry. Applications for membership are now invited.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n2.html#13 In January the Wellcome Trust Sanger Institute database of DNA sequences reached one billion entries. At 22 TB it is one of the biggest... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#12 A version of SciFinder Scholar for Mac OS X has been released.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#11 The OSET project from the School of Chemistry... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#10 Proceedings of the meetings of the Association of Research Libraries are available on-line. The 138th meeting focussed on Creating a Digital... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#9 Current Science has a special section on citation counting, now fifty years have passed since the idea was suggested by Garfield (Science, 1955,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#8 The ChemNomParse project is an open source project to create a chemical nomenclature parser, run by from the Computer Science Department at the University... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#7 Teragrid is a grid of computers run by the NSF, with over forty teraflops of computer power and over twopetabytes of storage. Research... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#6 Schrodinger's Maestro graphical user interface for its computational chemistry programs is now free for academic users.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#5 DGRweb, the online version of ACS Directory of Graduate Research, is now freely available. It covers graduate research in the USA and in Canada.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#4 This study on open-access business models is published by the Association of Learned and Professional Society Publishers, which clearly has an interest in... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#3 Elsevier MDL and TEMIS have developed a method for finding chemical... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#2 The programmes of past American Chemical Society National Meetings are now available on-line from 1998.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v12n1.html#1 Forty six Fellows of the Royal Society have signed an open letter to the President expressing concern about the Society's statement on... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#72 A molecular dynamics package, available under GPL, initially developed by Herman Berendsen at Groningen University. Last modified October 2005 (version 3.3).... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#71 A computational chemistry software package released under the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#70 Ab initio calculations. The program is maintained by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#69 Ab initio calculations. A software company, Computing for Science, now administers GAMESS-UK, which remains free to UK academics.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#68 Free software project for atom scale simulation, which will incorporate... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#67 A quantum chemistry program using SCF, MP2, MCSCF or CC wave... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#66 A plane wave/pseudopotential implementation of Density Functional... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#65 The CHARMM Development Project is a network of developers working with Professor Martin Karplus. CHARMM is available for a $600 licensing fee. Latest release:... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#64 B, formerly Biomer; Free; Source Code; Java. Has moved from its old... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#63 A molecular mechanics and dynamics program written in C by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#62 Originally developed by Peter Kollman, and now maintained by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n6.html#61 ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#60 REACH (Registration, Evaluation and Authorization of Chemicals) is new legislation which is being developed by the European Union. Acompromise which leaves most people unsatisfied,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#59 After... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#58 Many databases of Material Safety Data Sheets are available on-line, and some of these are free. Most have disclaimers about the limited liability of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#57 How good is the information in Wikipedia? Its... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#56 From the beginning of 2006, the Cambridge Structural Database will be distributed to academic organisations, as a result of the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#55 ChemDB is a database of small molecules, run by Professor Pierre Baldi at the School of Information and Computer Science at the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#54 Chmoogle is a database of several million chemical structures, mainly from PubChem and various chemical suppliers. It can be searched by exact molecules... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#53 CNS (Crystallography and NMR system), developed by Professor Axel Brunger is a successor to X-Plor. A newsgroup to discuss both... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#52 This article investigates discoveries that have later won Nobel Prizes, which were initially ignored by the scientific community or rejected by prestigious journals.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#51 The ability to search the chemical literature online means it is possible to find more information more quickly than in the past. However, these resources... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#50 Google's plan to scan books and make their contents available (in small sections) has been attacked... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n5.html#49 This year's hurricane names have reached the end of the alphabet and have started again, using Greek letters. Observations of Mars from the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#48 PubChem now has over five and a quarter million structures. William Carroll, the president of the ACS has written a ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#47 A JIBS User Group seminar has addressed this question, as UK universities and research councils are establishing institutional... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#46 Who controls the internet? Currently a US organisation ICANN is the closest thing to a ruling body, although there are other important players, including... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#45 The Royal Society of Arts has launched the Adelphi Charter on Creativity, Innovation and Intellectual Property calling for a public interest test should... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#44 How important is data from China? The Baidu database is a success with third quarter profits trebling, and Chinese databases are... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#43 As before (Chem. Inf. Lett. 2003, 7, #3, 31), the World Standards Day will be celebrated by the ISO on Friday 14th... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#42 Barnard Chemical Information is now Digital Chemistry, which was... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#41 German Conference on Chemoinformatics will be... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#40 This summary of UK law from the RNIB explains the legal requirements for making websites accessible to disabled people. The Sydney Olympics Organising Committee... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#39 The Wellcome Trust updated its position statement on open access in September 2005. It supports unrestricted access to the published output of research as... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#38 IUPAC is continuing to develop Joint Committee on Atomic and Molecular Physical Data Exchange (JCAMP-DX) protocols, and the latest provisional recommendations are... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n4.html#37 Scientific papers may well have references to internet resources as well as to traditionally published papers. Sometimes these references are given simply as a... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#36 ORTEP (Oak Ridge Thermal Ellipsoid Plot Program) figures, which were once the commonest of three-dimensional representations of molecules, are still available, and the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#35 This year's Nobel Prize in Chemistry will be announced on October 5th. The ISI has predicted winners in 2002, 2003 and 2004,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#34 In an article in PloS Medicine, John Ioannidis of the University of Ioannina argues in support of his title "Why Most Published Research... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#33 In this article, Lawrence Lessig, Professor of Law at Stanford and chair of the directors of Creative Commons, suggests that... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#32 CSS is a simple mechanism for adding style to Web documents, and is very widely used. Tutorials and lists of CSS resources... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#31 On-line publishing has much lower costs than traditional printed journals, but it is still not easy to break even.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#30 The Wellcome Trust Sanger Institute, formerly known as the Sanger Centre has sequenced almost three billion bases. What keeps it going? Thousands of processors and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#29 The InChI chemical identifier is gathering importance. ACD/labs provides a free implementation. A InChI generation webservice is available in the Unilever... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#28 Professor Jorge E. Hirsch has proposed the "h-number" as index of scientific output. A scientist has the number h if h of their published... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#27 The BBC reports that growth of the WWW is slowing. A study of the chemistry web (Org. Biomol. Chem. 2004, 2, 3222-3225) gives... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#26 Chemistry is not cooking. Cooking is the distinct discipline of culinology. The word is a trademark of the Research Chef's Association,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n3.html#25 William Carroll, the president of the ACS has written a second open letter about the NIH's PubChem, urging the NIH to advance... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#24 This course should have been included with the others listed in: Chem. Inf. Lett. 2005, 10, #5, 50.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#23 How is it possible to produce models of molecules? This company has a system for generating 3D molecular designs.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#22 Sciproof is a program containing a database of quarter of a million technical, scientific, medical and chemical terms, to aid in scientific writing.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#21 The Cornell University Law School provides information on US commerce and trade codes, some of which are relevant to chemistry. Title 15,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#20 An essay by Andrew Dalke suggesting that Python may be the standard high-level programming language for chemical informatics, just as Perl is... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#19 Can an open access freely updated knowledge resource really work? The Wikipedia shows that it can. Despite reports that tighter editorial controls... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#18 It is possible to start a company that makes an income from open-source software, with... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#17 The Scout Project has been developing tools and services for finding, filtering and presenting on-line information since 1994, at the University of Wisconsin-Madison.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#16 The eCheminfo Autumn 2005 InterAction Meetings will take place on October 11th and 12th at Bryn Mawr College, Philadelphia, USA... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#15 According to the Yahoo search blog, Yahoo indexes twenty billion items. This is more than Google which currently indexes about eight million web... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#14 The PhysChem Forum aims to generate an environment for informed debate and discussion in a non-commercial setting within the physical chemistry / ADMET industry. It... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n2.html#13 This website from St Olaf College which is aimed mainly at undergraduates and does some chemical calculations and analyses the 'greeness' of processes.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#12 This chemistry software store provides chemical database and property prediction tools - including MOLPRO - not to be confused with MOLPRO.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#11 The ACS is developing a list of contemporary heroes of chemistry, focussing on industrial scientists whose chemical work has led to a product that... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#10 This resource, an interactive database of chemical procedures (see Chem. Inf. Lett. 2002, 4, #4), has been growing and now has over two hundred... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#9 A database of songs about mathematics and science.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#8 The National Academies Report on chemical journals "Are Chemical Journals Too Expensive and Inaccessible?: A Workshop Summary to the Chemical Sciences Roundtable" is now... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#7 Elsevier has a new open source cross-referencing tool for Xquery applications (Xquery tutorial), called xqDoc. The tool is now freely available to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#6 This patent describes a: "Method, system and apparatus for handling information on chemical substances". This appears to cover much of chemical informatics.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#5 The Association of American University Presses has challenged Google to show that the Library Project is fair use and not copyright violation. Both... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#4 Dennis P. Curran, co-editor of Organic Syntheses, writes in the May 9,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#3 The Beilstein Journal of Organic Chemistry, a new peer-reviewed online... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#2 The European Parliament has voted to reject the software patents directive. The vote to scrap the bill was passed by a margin of 648 votes... http://www-jmg.ch.cam.ac.uk/CIL/cil_v11n1.html#1 This builds on the earlier decision. The Senate report calls upon NIH to "work with the private sector chemical information providers, with the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#72 CAS and the ACS are concerned about PubChem. Is a publicly-funded organisation competing with a commercial one? Is this a good use... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#71 This will allow for more complicated search queries, which may be important for searching for specific chemical entities.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#70 The ACS is changing its web subscription system for 2006. Instead of rolling access to the last four years and the current year,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#69 Sigma-Aldrich has developed a 'virtual stockroom' displaying its catalogue as a stockroom. The resources include substructure searching of chemicals in the catalog.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#68 Scopus and the The Web of Science are both resources for searching the scholarly scientific literature. Scopus developed since 2002, was... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#67 The Open Knowledge Initiative, which started at at MIT in 2001, develops ways of allowing learning management systems interact with enterprise systems.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#66 Scientometrics is the study or measurement of scientific texts and information. There are at least two journals in this area, Scientometrics and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#65 Nearly half a million acronyms are available through a recently announced search engine. Several languages are available, although English dominates.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#64 Small molecule crystal structure data can be most easily searched through the Cambridge Crystallographic Data Centre, which is available by subscription. However, the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#63 Google is based on the PageRank algorithm, which is described on a Stanford website. A patent application (20050071741 - for more details... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#62 How good is Google Scholar? A 2004 review has now been updated (June 2005). The reviews conclude that Google Scholar has some... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n6.html#61 Chemistry 2000 (c2k) is continuing to provide up to date information about chemistry departments, learned societies and chemistry journals around the world. Since the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#60 DAREnet (English version) gives digital access to Dutch academic research output. More than 25 000 publications from two hundred scientists are featured, with... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#59 Mesa Analytics and Computing has received a grant from the National Science Foundation to build a Cheminformatics Virtual Classroom.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#58 Chemical and Engineering News has a guest editorial, highlighting the importance of syberinfrastructure. The National Science Foundation has just published the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#57 SCIgen is a program which generates text resembling computer science papers using random processes. Recently, a SCIgen paper was accepted by a conference.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#56 Work in the Olson laboratory at the Scripps Research Institute has developed tools to let people hold molecules with their bare hands. Are hands... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#55 How accessible is crystallographic data? The Crystallography Open Database, the ecrystals project, and the RCSB make their data freely available. The... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#54 According to Business Week, Celera will make freely available data on about thirty billion base pairs of DNA, from July 1st. This addresses... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#53 The abstracts from 115 presentations at the CINF session in the Spring 2005 San Diego ACS meeting are available, together with some of the presentations.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#52 The American Society for Pharmacology and Experimental Therapeutics (ASPET) will make the articles in its journals The Journal... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#51 A collection of molecules has been set up in DSPace by Dr M. Karthikeyan of the the chemoinformatics team at... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#50 University and college courses in chemical informatics were surveyed in Chem. Inf. Lett. 2004, 8, #1, 12 and also in Chem. Inf. Lett.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n5.html#49 The Columbia University Senate endorsed unanimously a resolution on "Open... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#48 Nineteen European national libraries have decided to cooperate, lead by the Franch national library, to put European literature on-line, and provide competition for... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#47 Is it possible to share chemical information without giving away commercial secrets. Professor Tudor Oprea believes so, and has arranged for a challenge... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#46 Synthetic Protocols is a database of solid phase, solution phase and library synthesis procedures, developed at Boston University's Center for Chemical Methodology and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#45 The ACS has grown concerned about PubChem, because it appears that a new USA government service is competing with an established private-sector business.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#44 How much information is in a number? Google has a search by number feature which finds patent numbers and parcel tracking codes, amongst other things.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#43 The Creative Archive is a BBC-led initiative to provide access to public service audio and video archives. The Creative Archive License allows for... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#42 About 1543 scientific and scholarly journals are available under open access arrangement.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#41 The Association of Learned and Professional Society Publishers (ALPSP), the American Association for the Advancement of Science and Stanford's HighWire Press... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#40 On-line patent databases should make it easier to check patents, but a recent article in World Patent Information (volume 27, page 27), summarised in... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#39 Dialog from Thomson now provides chemical structure searching.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#38 Information which used to be available is being restricted, as a result of concerns about 'security' this article suggests. This information includes reports from... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n4.html#37 Google Print is a project to include as much book information as possible in Google searches, by digitising libraries. If copyright permits it,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#36 The New York Public Library's Digital Gallery contains over quarter of a million digitized images, including some of chemistry and chemists.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#35 Some comments on the NIH Open Access Policy.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#34 Google's word limit: Google's word limit has increased from ten to thirty two words, allowing for more complicated queries, which is particularly useful when... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#33 The Burndy Library may move from MIT to Pittsburg in 2007.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#32 Which is more important: science or music? Music and film distributors are want to protect their commercial interests, but legislation could have an impact on... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#31 Online glossaries for science and engineering and the built environment are now available. Art and design has been updated.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#30 The World Wide Web Consortium agrees web standards. However, the Web Hypertext Application Technology working group (WHAT), a collaboration of Web browser... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#29 The European Journal of Biochemistry has been replaced by FEBS Journal from the beginning of 2005. This is one of the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#28 This interview with Tim Bray, one of the creators of XML, explains how it started in the context of a project to computerise the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#27 The Wellcome Trust is a strong supporter of open access publishing, and now proposes to require Wellcome Trust supported publications to be... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#26 The American Chemical Society... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n3.html#25 The Beilstein Institute has announced the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#24 Two historians who have questioned how industry reacts when faced with information about potential dangers from their products are being sued, as are the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#23 Some of the largest US technology companies have agreed to embrace open, nonproprietary technology standards as the software building blocks for a health information... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#22 Search engines were last mentioned here in Chem. Inf. Letters 2004, 8, 7.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#21 The British Computer Society is running a conference considering the grand challenges in computing. These include complete simulations of living organisms, global and scalable ubiquitous... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#20 (iii) Power of established publishers: need good names as editors and track record. There are big players who are hard to challenge. Chemistry was good... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#19 (ii) Tradition: in some respects the process of publishing new syntheses has been similar for over a century. Is it inertia that discourages preprints and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#18 (i) Refereeing services: So chemists rely more on referees than other disciplines? Checking experimental data is laborious. Perhaps some subjects rely less on this, particularly... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#17 Is the chemical community not interested in this form of publication? There is some evidence, in computer science, that open access papers are... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#16 The Internet Journal of Chemisty is to stop publication.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#15 IBM has undertaken not to assert five hundred of their forty thousand software patents against Open Source Software in support of innovation and open... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#14 The CHI conferences: a conference on Virtual Screening will run March 30th-31st in Boston and another conference Structure-Based Drug Design will take... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n2.html#13 The Syracuse Research Corporation provides a variety of free services including a PBT Profiler for estimating Persistent, Bioaccumulative, and Toxic Profiles of organic chemicals,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#12 Did Y2K bug exist? This article argues that it was an important event. We should now worry about the year 2038.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#11 Glenn T. Seaborg's results on nuclear fission were sent to the APS in 1941, but not published for five years. Five years later, he... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#10 The General Public License (GPL) has not changed since version 2 in 1991, but it may be modified again to provide more protection... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#9 Vigyaan is a free Linux-based electronic workbench for bioinformatics, computational biology and computational chemistry. The focus is currently biased towards biology rather than chemistry,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#8 A group of publishers (American Association for the Advancement of Science, American Association for Cancer Research; American Cancer Society; American Diabetes Association; American Heart Association;... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#7 The 7th... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#6 Project Gutenberg now has a full text search.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#5 ZINC is a free database of commercially-available compounds for virtual screening. It contains over 2.7 million compounds in ready-to-dock, 3D formats, from the Soichet... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#4 Google Scholar is an experimental Google service to search the scholarly literature. For chemistry, where most publications are not open-source, its coverage is a long... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#3 Under the new law, passed by Parliament in 2000, all citizens will have information to any non-exempt information from any UK public sector authority... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#2 Nuclear Receptor Signaling Atlas: The aim of the program is to gather and organize information relating to orphan nuclear receptor biology, and extend this to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v10n1.html#1 How much does it cost to publish a paper and then have access to the results? This study looks at the library expenditure for universities... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#72 A molecular modelling program for periodic solids, gas phase cluseters and isolated defects, written by Julian Gale.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#71 A molecular dynamics package, available under GPL, initially developed by Herman Berendsen at Groningen University. Last modified March 2004 (version 3.2.1).... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#70 A computational chemistry software package released under the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#69 Ab initio calculations. The program is maintained by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#68 Ab initio calculations. A software company, Computing for Science, now administers GAMESS-UK, which remains free to UK academics.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#67 Free software project for atom scale simulation, which will incorporate... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#66 A quantum chemistry program using SCF, MP2, MCSCF or CC wave... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#65 A plane wave/pseudopotential implementation of Density Functional... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#64 B, formerly Biomer; Free; Source Code; Java. Has moved from its old... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#63 A molecular mechanics and dynamics program written in C by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#62 Originally developed by Peter Kollman, and now maintained by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n6.html#61 ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#60 This conference ran in November, and information on the talks is available on-line.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#59 MedLibraryAlert is an automated search engine that scans daily for your... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#58 Many databases of Material Safety Data Sheets are available on-line, and some of these are free. Most have disclaimers about the limited liability of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#57 There are many commercial mathematics packages, including Maple, Matlab and Mathematica. Open source alternatives include Maxima, Octave, Axiom,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#56 CrossRef is a collaborative, cross-publisher reference linking service that turns citations into hyperlinks, allowing researchers to navigate online literature at the article level. A... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#55 The text book Notes on Molecular Orbital Calculations by John D. Roberts is now on the web as a PDF file. The book... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#54 The NIH has sought public comments regarding NIH's plans to facilitate enhanced public access to NIH health related research information. The comment period... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#53 This news feeds covers the latest patent publications in the USA.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#52 This project aims to create an archive of clip art that can be freely used for any purpose. Currently, the archive is rather short of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#51 The Platinum Group Metals Database is now live. This database comprises a large... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#50 This workshop ran in October 2004 in Cambridge Massachusetts.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n5.html#49 Journals are colour-coded according to their policies on author self-archiving. There are at least two schemes for doing this:... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#48 Who should win the 2004 Nobel Prizes? Analysis of citations has been used by ISI to make Nobel Prize predictions. Although ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#47 The GEO, which became available in July 2000, is a high-throughput gene expression/molecular abundance data repository, a public repository for a wide range of high-throughput... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#46 Spresi is a Structure and Reaction Database, introduced in October 2002 by Infochem. It includes Synthesis Tree Search which searches for... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#45 GRID computing could still be the next big thing. IBM are about to release Globus Toolkit 4 which provides an API for... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#44 The research group of Professor Mu-Hyun (Mookie) Baik uses quantum chemical models and develops novel methods of extracting chemical information from these calculations. One... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#43 Jakob Nielsen, author of a book on web site usable has given an interview describing his views on Web site design: simplicity is... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#42 The Institute for Rock Magnetism provides scholarly resources online, including the Rock Magnetic Bestiary.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#41 A targeted chemistry search engine, from ChemNet, and the Korea Chemical Network. Despite the scientific focus of the search engine, it... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#40 Medline now indexes articles back to the 1950s, extending its coverage back through time. Diseases which were common and are now returning, such as... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#39 The University of Buffalo's library has assembled a guide to toxicology resources which includes many useful links. In addition to these resources, the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#38 A site designed to aid chemists in their search for employment, with some links to chemistry resources.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n4.html#37 What should on-line journals do about mistakes that will, inevitably, be incorporated from time to time? A survey of what publishers do has been published... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#36 This article, by Helen Cooke and Damon Ridley has been published in the ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#35 Indexcat, the Index-Catalogue of the Library of the Surgeon-General's Office, 1880-1961, is now made available from the National Library of Medicine.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#34 BioMed Central provides Open Access XML full text of its articles, and so is ideal for data mining. This may be important in enabling... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#33 Despite its name, its seems likely that technetium does occur naturally ("The ignored discovery of the element Z = 43" Peter H M van Assche... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#32 The DLESE is a partnership between the NSF and the DLESE Steering Committee. It is a grassroots community effort involving educators, students, and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#31 An RSS/XML chemistry and science newsfeed from David Bradley.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#30 This database, coordinated by Simon Woodward of the University of Nottingham, is a Europe-wide resource for distributing new ligands for organic synthesis and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#29 It will not be easy to develop a better search engine. New products are available, including Clusty, a clustering search engine and a... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#28 This meeting runs from November 14th - 16th, and includes discussion of: Pharmaceutical Chemoinformatics;... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#27 The SciTechMed Information Service is free of charge to those who have published research in: EMBASE, Elsevier BIOBASE, COMPENDEX or... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#26 Elsevier has sold ChemWeb and closed BioMedNet and is concentrating on ScienceDirect and search tools to complement it, according to Nature... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n3.html#25 Authors for Springer journals (which include The Journal of Molecular Modelling) will be able to opt for 'Open Choice' once a paper has been... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#24 Organic Eprints is an international open access archive for papers related to research in organic agriculture.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#23 Reaction reviews is a place to submit and discuss interesting reactions that appear in current literature and read reviews on new reactions... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#22 The Collaboratory for the Multi-scale Chemical Science (CMCS) brings together leaders in scientific research and technological development across multiple DOE laboratories, other government laboratories... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#21 ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#20 Information about cheminformatics, ontologies and statistical mining. Cosmas is the patron saint of the chemical industry and chemical manufacturers.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#19 The NIST has decided that DES (as described in the PDF FIPS46-3) is no longer secure enough to protect information for... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#18 This book, by Professor Kieran Lim, may be downloaded from the web, and provides useful advice on chemistry writing.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#17 A new test version (documentation and sample structure files, but Microsoft Windows only) of the IUPAC-NIST Chemical Identifier (INChI) is now available.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#16 This database, last updated in September 2003 has 12000 crystal structures.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#15 A new service from Chemical Abstracts which highlights the most requested, the most intriguing and the most cited chemical research.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#14 This site delivers raw patent data in XML. As a consequence, it can be accessed by other searching services, such as the free IP... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n2.html#13 The popularity of RSS feeds appears to be increasing. There is an index of academic library RSS feeds at Iowa State, RSS access to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#12 The June 2004 list of the top 500 supercomputers has a diagram showing subject areas. Chemistry is getting less attention than it was,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#11 This index of articles has over half a million entries, and so a search for 'chemistry' has many hits.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#10 The International Centre for Diffraction Data is a non-profit scientific organization dedicated to collecting, editing, publishing, and distributing powder diffraction data. The Powder Diffraction... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#9 This database of biomedical acronyms, constructed in the Garner Group at the University of Texas Southwestern Medical Center, was created in an... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#8 This article by Helen Cooke (Schofield) and Damon Ridley (Australian Journal of Chemistry, 2004, 57(5), 387-392) outlines the limitations of the use of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#7 Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of small molecular entities, from the European Bioinformatics Institute (EBI).... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#6 The .edu suffix used to be a clear indication that a site came from a university in the USA. However, this is no longer the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#5 The US House of Representatives have recommended that the NIH provide free access to all the research it funds. Elias A. Zerhouni,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#4 The NIH has announced the establishment of a Chemical Genomics Center, which is the first component of a network that will produce chemical... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#3 The Science and Technology Committee of the UK Parliament has published its report on scientific publications. It concludes that the current model of publishing is... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#2 This paper in the BMC Medical Research Methodology concludes that statistical practice is generally poor, even in renowned scientific journals.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v9n1.html#1 Chemical Informatics Letters now available via RSS, which can be viewed on a web browser here, using the RDN's viewer, or by loading... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#72 The printed Index Medicus, started in 1879, will cease at the end of 2004. The National Library of Medicine stopped publication of the annual... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#71 The Oxford Chemistry Department has set up on-line interactive science experiments, including Photodiode Experiments and Phosphorescent Decay.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#70 Subcommittee of the Analytical Chemistry Division supersedes the Commission on Solubility Data. Solubility - in cil v7n5... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#69 Chemistry 2000 (c2k) continues to provide up to date information on chemistry departments, learned societies and chemistry journals. Since the last report in... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#68 SynGen is a organic synthesis generating program, developed by Professor James B. Hendrickson's research group at Brandeis University, which abstracts reactions and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#67 The NASA Institute for Advanced Concepts is an institute of the Universities Space Research Association, and focuses on revolutionary concepts for space and aeronautics... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#66 This site is run by Armel Le Bail at the Universite du Maine contains a variety of crystallographic resources, and a list of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#65 The Pacific North West National Laboratory's collaboratory has produced a list of electronic laboratory notebooks in the collaboratory and beyond. A fuller... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#64 Roentgenium has been proposed as the name for the element with atomic number 111, after Wilhelm Conrad Rontgen, the discoverer of X-rays.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#63 ChemBank is a freely available collection of data about small molecules, concentrating on their effects in biology. Resources for studying their properties are also... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#62 Many programs are available for the calculation of the pKa of molecules, usually based on the correlation of sigma constants of functional groups with pKa.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n6.html#61 It has been possible to patent computer software in the USA since the 1980s (brief history) but it has not been possible in... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#60 The LMC was founded in 1983, in the town of Bourgas, on the Black sea coast, as a laboratory for property modelling in ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#59 Professor Kishi from Harvard University, has assembled a large database of NMR spectra for polyols, which has been published by the American Chemical... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#58 RDF Site Summary (RSS) is a "lightweight multipurpose extensible metadata description and syndication format". More helpfully, it is a a format for... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#57 A new draft of IUPAC's Nomenclature of Inorganic Chemistry is... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#56 This website contains links to cheminformatics programs and Cheminformatics links (300 links in more than forty categories). The site is run by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#55 The Distributed Structure-Searchable Toxicity (DSSTox) Database Network provides a community forum for publishing standard format, structure-annotated chemical toxicity data files for open public access,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#54 Indexes of resources on properties are available at Vanderbilt and from the Chemical Engineers Resource Page. An article on this by a... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#53 NewJour is an announcement list for new journals and newsletters that are available on-line, run from UCSD. An archive for NewJour is... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#52 Is an opensource approach the best to writing software? There are examples of very effective opensource projects, but others are less successful. The reasons may... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#51 The BBC reports that UK library use is declining, and if two data points are linearly extrapolated, will cease within twenty years. This seems... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#50 What are the prime factors of 188 198 812 920 607 963 838 697 239 461 650 439 807 163 563 379 417 382... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n5.html#49 The American Physical Society (APS) is decreasing the subscription price of its journals, despite increases in the number of pages and papers submitted.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#48 A global information resource listing over eight thousand organisations, product and service providers in biotechnology.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#47 Cambridge Dspace is a project to develop a digital repository for the University of Cambridge. In parallel with this,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#46 ChemIDplus is a searchable database of over a third of a million chemical substance records.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#45 The American Chemical Society has decided to end its... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#44 Crystallography Online from the International Union of Crystallography lists numerous resources including databases of interest to crystallographers.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#43 Sun and Microsoft have ended a long running dispute. It is not clear what effect this will have on Java, or on... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#42 Is animal testing of new molecules necessary? Alternative methods are being investigated by the USA agencies NIH and USDA (United States... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#41 The UK Mirror Service will still be available for use until July 31st 2004.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#40 Elsevier announce the transfer of ownership to ChemIndustry.com... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#39 This resource comes from the National Centre for Biodiversity Informatics in India, which mainly focusses on Indian flora and fauna. The Chemical Information... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#38 The goal of this workshop is to bring together people interested in Chemical Information in order to share ideas and future perspectives. Speakers include Peter... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n4.html#37 Nature will increase the number brief communications arising from papers by publishing additional communications on-line only. They will be citatable by their Digital... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#36 This page gives the latest number - currently around twenty three million organic and inorganic substances. ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#35 Buffalo Informatics: The University of Buffalo has an informatics department, which concentrates on the intersection of human communication and information processes.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#34 Daylight provides an on-line service which converts SMILES strings to GIF images of molecules. A similar service is available from Erlangen (see... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#33 Computational Biology at Memorial Sloan-Kettering Cancer Center (MSKCC) hosts BioPAX : Biological Pathways Exchange.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#32 BioInteraction tries to map all the protein interactions for biological scientists.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#31 An analysis of the academic publishing industry from Northern Illinois Associate Dean for Collections and Technical Services Mary H Munroe.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#30 ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#29 Almost a century of the Journal of Biological Chemistry (JBC) is freely... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#28 PubMed Central is scanning the back issues of PMC journals that are not already and these will be available free. These include Nucleic Acids Research... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#27 The CSR organizes the peer review groups that evaluate about seventy per cent of the research grant applications sent to NIH. The organization of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#26 The World Wide Web Consortium has announced final approval of two key technologies, the revised Resource Description Framework (RDF) and the Web Ontology... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n3.html#25 The Berne Convention is an agreement that data cannot be protected by copyright. The USA is considering new legislation which will change... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#24 This group is run in the department of biochemistry by David Lloyd, the Hitachi Lecturer in Advanced Computing. The group's research is aimed at using... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#23 "Chemogenesis: The Story of How Chemical Reactivity Emerges From The Periodic Table of The Elements" by Mark R Leach, who worked at Salford University, is... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#22 Chemistry in Britain, the RSC's monthly magazine for the chemical community has been replaced by Chemistry World and supported by Chemical... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#21 According to this paper, data on misprints in citations suggests that about 70-90% of scientific citations are copied from the lists of references used in... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#20 This centre is, in its own words, "the first and the most important scientific portal". Surprisingly, the Internet Archive WayBackMachine has no record... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#19 This office, run by the Department of Energy in the USA, provides information on energy science and technology, including the E-print network (preprints and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#18 This NIH resource provides safety information about materials which are used in household products.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#17 Robert Pearlman is the Coulter R Sublett Regents Chair in Pharmacy at the University of Texas at Austin, and the director of the laboratory for... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#16 How secure is your data? The NIST have provided a guide on caring for CDs and DVDs, which recommends, amongst other things, that you should... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#15 WebFountain has been developed by IBM to help companies keep up to date and respond to developments in their areas. It has three components: (i)... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#14 A robot scientist has been created that creates theories, carries out experiments and interprets results. There is some way to go before graduate students, post... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n2.html#13 Peter Gregory, the Royal Society of Chemistry's director of publishing,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#12 ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#11 The ADMET-1 conference will be on February 11th-13th, 2004 in San Diego, California.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#10 Mark Webbink, Senior Vice President and General Counsel of Red Hat, Inc., wrote this article for corporate... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#9 ChemInfoStream Barry Hardy's Chemical Informatics blog has news and views from the world of chemical information, modelling and informatics.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#8 The UK Parliament's Science and Technology Committee is to look into scientific publication,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#7 Google is a very effective search engine, but it has many competitors. Can it retain dominance? Searching is a difficult problem.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#6 This page was updated in December 2003.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#5 Particular interested in sugar, but also web-based molecular modelling.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#4 This server, run by David Wild (Wild Ideas) at the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#3 This project has been running since 1998, providing public access to information about high volume production chemicals.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#2 What is 'Systems Biology'? A definition, from the American Chemical Society... http://www-jmg.ch.cam.ac.uk/CIL/cil_v8n1.html#1 A searchable catalog of more than 4,000 science activities of the US environmental protection agency (EPA). The site allows... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#72 Open Source Project; Mainly written in Python,with a small amount of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#71 Ichmech... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#70 A computational chemistry software package released under the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#69 Ab initio calculations. The program is maintained by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#68 Ab initio calculations.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#67 Free software project for atom scale simulation, which will incorporate... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#66 A quantum chemistry program using SCF, MP2, MCSCF or CC wave... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#65 A plane wave/pseudopotential implementation of Density Functional... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#64 B, formerly Biomer; Free; Source Code; Java. Has moved from its old... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#63 A molecular mechanics and dynamics program written in C by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#62 Originally developed by Peter Kollman, and now maintained by... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n6.html#61 Last reviewed in Chemical... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#60 International Union for Pure and Applied Chemistry (IUPAC)-National... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#59 A view from Cornell University Library - journal costs are increasing far faster than inflation. This could be approached by relying less on commercial publishers,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#58 Wiki, the Hawaiian word for quick, is a way of running a web site which can be interactively updated by many people. A... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#57 Dr Wendy Warr's web site has a report on Chemical Information at the 225th ACS national meeting, and a new list of e-Commerce resources... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#56 The on-line Sigma Aldrich catalogue includes free access to PDF versions of some spectra for their compounds. Free spectral data is also available from... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#55 Gene Networks and FQS Poland have developed a program called Cell Illustrator... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#54 EMBOSS is the European Molecular Biology Open Software Suite and contains many useful bioinformatics programs, written in C and available for most Unix and related... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#53 Increasingly, scientific publications include URLs amongst their references, but these do not have the same longevity has published papers - indeed they may no longer... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#52 This non-profit organisation, founded in 1991, carries out research in molecular nanotechnology.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#51 The British Library, together with the Cambridge, Oxford, and Trinity College Dublin University libraries and the national libraries of Scotland and Wales are legal deposit... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#50 A Genetics and Biotech Information Network, run from the Department of Genetic Engineering at the Jordan University of Science and Technology.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n5.html#49 An open-source, open-content database for chemistry structures and their NMR data, developed at the Max Planck Institute for Chemical Ecology, by Christoph Steinbeck,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#48 These pages, designed by Professor Gerard Dupuis at the lycee Faidherbe de Lille, describe a number of chemical reactions and phenomena, including the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#47 This database is run from the University of Texas Medical Branch. It consists of a Web server that integrates a database of allergenic proteins... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#46 Comb-e-Chem is on of the Uk's national e-science projects, run by Jeremy Frey. It is working on Grid-enabled combinatorial chemistry, concentrating on crystallography... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#45 ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#44 The first journal in the Public Library of Science: PLoS Biology launched its first issue on October 13, 2003. Unlike most other journals, reading... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#43 The ArXiv server was a physics server, but now has a (Quantitative) Biology section.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#42 The Pacific Northwest National Laboratory has won a five-year grant from the National Institutes of Health to support a centre for basic... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#41 eCheminformatics 2003 is an international conference to be held on the Internet which brings together researchers to discuss the applications of Cheminformatics methods to Drug... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#40 MDL publishes its file formats and they are widely used. It has now developed a new data interchange format, the XDfile, which is... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#39 George A W Milne is retiring as editor of The Journal of Chemical Information and Computer Science (JCICS). William L Jorgensen of Yale... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#38 The Dewey Decimal system is now more than a hundred years old, and is widely used by libraries across the world. Despite its long use,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n4.html#37 The UK Biobank project will be the world's biggest resource for the study of the role of nature and nurture in health and disease,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#36 This primer, "What Every Chemist Should Know About Patents", is now available from the ACS at a new URL. ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#35 The Biology Browser ("free information from a trusted source"), is provided by Biosis, a non-profit organization that has delivered flexible information services since the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#34 ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#33 This site has a good domain name, and a list of chemistry-related links. It is not clear who runs it, nor what its remit is,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#32 Professor W. Graham Richards (Oxford University) will be awarded the 2004 ACS Award for Computers in Chemical and Pharmaceutical Research... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#31 World standards day - will be celebrated on October 14th by ISO, and in the US on September 30th with competition... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#30 KnowItAll, a database of spectral data, has a free academic edition, which draws structures, analyses IR and Raman spectra, and accesses a multi-technique spectral... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#29 This directory of chemical engineering faculty is run by Steve Swinnea from the University of Texas at Austin. This is an easier undertaking than... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#28 Cartage (Central Array of Relayed Transaction for the Advance of General Education) allows schools and individuals to share data and resources for the education community... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#27 TeX (LaTeX) made easier and open source. LyX is an open source document processor that encourages an approach to writing based on the structure of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#26 A crystal structure database that includes structures published in the American Mineralogist, The Canadian Mineralogist, and the European Journal of Mineralogy. The... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n3.html#25 Element 110, discovered at GSI in Darmstadt, is officially called darmstadtium.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#24 ChemIndex is the professional's version of Cambridgesoft's ChemFinder - it searches the same database, but provides more facilities for a subscription fee. ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#23 CLiDE is a chemical literature data extraction tool from SymBioSys Inc, a company which started from Professor Peter Johnson's group at Leeds University.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#22 This site, part of the World Wide Web virtual library, provides an index to chemistry programs available for the Linux operating system. It... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#21 NetEquation is a part of ThinkQuest's educational library, and claims to be 'a complete on-line chemistry resource'. It is a well set out... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#20 This web site appears to be an index of molecular modelling and drug design resources and 'softwares'.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#19 The EBI's Macromolecular Structure Database (MSD) has announced new services, including MSDchem, a consistent and enriched library of ligands, small molecules and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#18 MERLOT (Multimedia Educational Resource for Learning and Online Teaching) is a free and open resource with links to online learning materials, for many subjects, including... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#17 Haystack is a tool developed at MIT to manage information in the way that makes the most sense to each user -... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#16 The Digital Libraries Initiative, phase 2 has produced a report on Revolutionizing Science and Engineering through Cyberinfrastructure. The National Digital... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#15 The Royal Society of Chemistry is digitising all its journals from 1841 to 1996. These will be available for outright purchase or for annual... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#14 If a web-search produces a large number of hits, it is useful to be able to cluster them into groups. A new service that does... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n2.html#13 ChemBank was mentioned in (Chem. Inf. Lett. 2002, 5, #3, 1). It now has a website, explaining that it is a freely available... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#12 MS Windows OpenGL program,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#11 A catalogue of biological databases, run by INFOBIOGEN, an organisation founded by the French government and the university Evry Val d'Essonne. The project... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#10 MePNet (Membrane Protein Network) is a research network dedicated to G-Protein Coupled Receptors (GPCR) structural genomic technology, run by Bio-Xtal, a proteomic services company.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#9 JISC (the UK Joint Information Systems Committee) has reached an agreement with BioMed Central: Up to 80,000 medical and clinical researchers at... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#8 JenPep is a database of quantitative binding data for immunological protein-peptide interactions, run from the Jenner Institute for Vaccine Research.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#7 This patent, which covers the GIF image files format, expired on June 20th, 2003. The Free Software Foundation has a comment on... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#6 Wikipedia is a project to create a complete and accurate open content encyclopedia. It was started on January 15, 2001 and there are currently 133412... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#5 This IUPAC glossary (Provisional Recommendation) defines common terms multidisciplinary field of toxicokinetics. It was compiled primarily for chemists working in toxicology and requiring... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#4 The MIT Computational and Systems Biology Initiative (CSBi) links biology, computer science and engineering in an approach to the analysis of complex biological problems. It... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#3 The International Network for the Availability of Scientific Publications (INASP) works to improve the flow of scientific information, especially for countries with less developed systems... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#2 This web site from the Technical University of Lodz provides a suite of programs for calculations of kinetic or equilibrium isotope effects using results... http://www-jmg.ch.cam.ac.uk/CIL/cil_v7n1.html#1 The US Food and Drug Administration now provides a library of chemical information.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#72 On-line access to Albert Einstein?s scientific and non-scientific manuscripts. The site allows browsing and viewing 3,000 digitized images of Einstein's writings. In addition, the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#71 A molecular graphics package for visualizing... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#70 TOXLINE is the National Library of Medicine's collection of bibliographic information on biochemical, pharmacological, physiological, and toxicological effects of drugs and other chemicals.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#69 This chemical thesaurues is not available directly on-line, but may be freely downloaded. The NIH also has a thesaurus, focussed on alcohol and other... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#68 A database run by the Metalloprotein structure and design program at the Scripps Research Institute.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#67 Search for chemical by name or structure. The ChemExper database currently contains over 100,000 structures. The service may be compared to ChemFinder from... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#66 An electronic infrastructure for the scientific community to query, deposit, review, and curate information on biochemistry.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#65 This Japanese association was founded in 1981, and has sponsored many meetings, financially supported by members of the CBI Company association, which included a... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#64 The International Council for Scientific and Technical Information (ICSTI) has the mission of promoting recognition of the value of scientific and technical information to the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#63 The Indian Academy of Science publishes a series of science journals, including several which are chemistry-related. Articles may be downloaded as PDF files.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#62 MDL has announced the Chemistry Rules Interface (formerly Cheshire) a chemical structure manipulation service with major extensions to chemical representation. MDL Chemistry Rules Interface... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n6.html#61 Chemistry 2000 now has... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#60 Professor John Huffman is director of the Indiana University Molecular Structure Center (IUMSC) and a professor of informatics at Indiana University's School... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#59 This institute offers training in Cheminformatics. The website is not clear about the academic credentials of the institute.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#58 The American Mathemetical Society's mathematical reviews on the web, including condensed matter physics, informatics, and computer modelling.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#57 The The USA Department of Defence High Performance Computing Modernization Program includes chemical projects. Current projects include: Toxicological assessment of FDA-approved treatments for... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#56 The goal of this database is to facilitate access to www resources for researchers working in the field of P450 proteins and P450-containing systems. It... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#55 The Society of Environmental Toxicology and Chemistry promotes multidisciplinary approaches to solving environmental problems. It was founded in 1979 to balance the interests of academia,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#54 This group at the Oak Ridge National Laboratory in Tennessee develops computational tools for solving problems from molecular biology.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#53 The description of the stereochemistry of a molecule is a difficult problem, and it is hard to convey the difference between relative and absolute stereochemistry... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#52 This database keeps track of new parameters developed for the AMBER forcefield. It is maintained by Richard Bryce at Manchester University's Department of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#51 GRID computing: What a developer needs to know to get started is a short overview from IBM developerWorks. How does Grid compare to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#50 The (CRK intends to offer a graphical interface to archive, data entry and presentation of chemical information, as well as useful tools for data... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n5.html#49 BioSimGrid is a Grid database for biomolecular simulations, run by collaborators in Oxford, Southampton, London, Birmingham, Nottingham and York, lead by Professor Mark Sansom... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#48 Xapian is an Open Source Probabilistic Information Retrieval library, released under the GPL. ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#47 "ADMET in the 21st Century" is a conference run by the ACS in Florida, May 4-6, 2003. Speakers include: Scott Boyer (AstraZeneca),... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#46 Many universities have courses on chemical information. The web sites listed range from introductions to using the library, to Masters degrees.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#45 The race to find the structure of DNA was won fifty years ago this month by Watson and Crick in Cambridge. Records from the archive... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#44 The Androgen Receptor Gene Mutations Database is a database of mutations of the Androgen Receptor Gene, maintained by Bruce Gottlieb... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#43 A recent article by Tim Bray, who worked on the creation of XML, asked Is XML too hard? has catalysed debate about... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#42 PASS (Prediction of Activity Spectra for Substances) predicts the biological activity... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#41 The Erlangen/Bethesda Data and Online Services are a collaboration between the Computer Chemistry Centre at Erlangen-Nuremberg and the Laboratory of Medicinal Chemistry at... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#40 Scientific Electronic Library Online, run as a model for cooperative electronic publishing in developing countries, particularly Latin America and the Caribbean countries. A partnership... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#39 Where can you find small routines, solving a small problem which may be of use in a bigger program? Some of the following sites... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#38 The Joint Information System Council (JISC) runs the Resource Discovery Network a collaboration of many educational and research organisations. Particularly relevant to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n4.html#37 The Review Articles in Molecular Bioscience (RAMBIOS) database is available from its own web site and from the National Institute of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#36 Bentham Science Publishers have announced the launch of fifteen new journals in the fields of pharmaceutical science and molecular medicine. The new journals include... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#35 This glossary is an appendix to the 1999 IUPAC report: Glossary of terms used in theoretical organic chemistry (Professor Vladimir I Minkin).... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#34 Jointly organised by International Council for Science (ICSU),... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#33 Professor Albert Padwa's (Emory University) synthetic method database: $325 for a single CPU. Future updates are free and will be available every year in... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#32 Jstage is run by JST, the Japan Science and Technology Corporation. JST was formed by the 1996 merger of the Research Development... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#31 The CAZy database describes the families of structurally-related catalytic and carbohydrate-binding modules (or functional domains) of enzymes that degrade, modify, or create glycosidic bonds. It... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#30 The Virtual Institute for Chemometrics and Industrial Metrology (VICIM) comprises thirteen centres across Europe lead by Professor D L Massart. The Scientific Board... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#29 Markov Models determine the probability of an event based on the series of events leading up to it. The result of tossing a fair coin... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#28 What is the best Java editor? This article compares a number of editors written specifically for Java. Are note pad, Word, or Simpletext as... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#27 The National Center for Biotechnology Information (NCBI) creates databases, researches computational biology, develops software for analyzing genome data, and provides biomedical information -... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#26 The US Environment Protection Agency has rearranged its web sites. The Chemical Registry System (CRS) and the Biological Registry System (BioRS) maintained by the Agency's... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n3.html#25 Since the beginning of the internet, some sources of information have been consistently reliable. For example, an internet name ending .edu has always been a... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#24 JOELib's web page describes it as a platform independent open source... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#23 The European Molecular Biology Laboratory is based on five sites in... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#22 CDK classes are Java utitility classes for ChemoInformatics and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#21 JMol reads many molecular data formats, and animates and displays... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#20 The department of informatics (computer science) at Torun, Poland, has a... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#19 In the department of Applied... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#18 The University of Miskolc Institute... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#17 The Institute of Physics has made... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#16 The ACS has just released a new web-based system providing a... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#15 A new website providing easy access to all resources and information... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#14 What is the difference between Chemical Informatics,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n2.html#13 Elsevier has removed some articles from the on-line versions of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#12 NSDL is a digital library of exemplary resource collections and services, organized in support of science education at all levels, funded by the Directorate... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#11 ChemBrain is a worldwide unique chemical database for three-dimensional molecular structures with integrated artificial intelligence, from ExportSoft, for PCs. The web site provides good... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#10 Computer programs can be open source - what about books? Prentice Hall, the academic and reference book publisher, is publishing 'open source' text-books, which... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#9 The Public Library of Science (PLoS) is a non-profit organization of scientists committed to making the world's scientific and medical literature a public resource. In... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#8 The National Bioinformatics Institute (http://www.bioinfoinstitute.com/) has an impressive-sounding name, and, according to its website, supplies 'two of the world's most respected certificates in the field... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#7 Barnard Chemical Information, (BCI), a Yorkshire-based company, provides specialised chemical informatics software and services to clients world wide.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#6 A free software project for atomic scale simulation has been set up following a CECAM workshop.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#5 This academy is a "non-profit non-governmental, independent organization of the most distinguished scholars and engineers performing forefront research and the development of advanced technologies".... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#4 Microsoft has announced that it will move towards an XML file format for office applications in forthcoming releases, to enable better data exchange. A complicated... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#3 Chemistry 2000 (c2k) continues to provide an up to date index to the worlds university chemistry departments and chemical journals. In January 2003, it indexed... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#2 The US Pacific Northwest National Laboratory is developing methods to visualise datasets from diverse disciplines.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v6n1.html#1 The GRID - a scheme to distribute computational power over the world, not just data - continues to attract attention. Java-based GRID software... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#72 A computational chemistry package that is designed both for workstations and high-performance parallel supercomputers, developed in the William R Wiley Environmental Molecular Sciences Laboratory... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#71 A quantum chemistry package developed by Professor Peter Knowles at Birmingham University and Professor Hans-Joachim Werner... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#70 Open Source Project; Mainly written in Python,with a small amount of C;... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#69 Ichmech incorporated in 2001. Free to academics; no changes in 2002.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#68 A computational chemistry software package released under the... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#67 Ab initio calculations. The program is maintained by Dr Mark Gordon's research group at the Ames Laboratory.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#66 Ab initio calculations. Martyn Guest, of the Daresbury Laboratory, is the main author.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#65 A quantum chemistry program using SCF, MP2, MCSCF or CC wave functions. The strengths of the program are mainly in the areas of magnetic and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#64 A plane wave/pseudopotential implementation of Density Functional Theory. The CPMD group is coordinated by Professor Michele Parrinello (Director of the Swiss Center of Scientific... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#63 B, formerly Biomer; Free; Source Code; Java. Has moved from its old location to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#62 A molecular mechanics and dynamics program written in C by Professor Robert Harrison at Georgia State's Computer Science Department.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n6.html#61 Last reviewed in CIL 3, #6, December 2001. This year, more programs are included.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#60 Uses the equivalent of over three years of CPU time every day to solve chemical problems. Eighteen universities, including Alberta, Guelph, etc.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#59 The GeneWeaver project involves the development of a flexible system for automatic genome analysis and annotation. It has moved from Warwick, to Brunel, to... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#58 Bloomberg reports that the major database suppliers may lose some of their market to small cheap competitors: Oracle, IBM, Microsoft Challenged... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#57 Located at the Center for Computational Visualisation at the University of Texas, the Shastra project (from the Sanskrit word for Science) covers various... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#56 What is happening in peer-to-peer networking? This Stanford group is developing new techniques.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#55 Lecturer in Physical Chemistry at Trinity College Dublin, whose interests include encodeing digital information on molecules. A recent analysis of information encoding in DNA... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#54 'Publishing at the cutting edge of Science and Technology'. Journals relevant to chemical informatics include: Journal of Theoretical and Computational Chemistry; International Journal... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#53 Professor Lohninger's research at the Vienna Technical University concerns the utilization of computers in chemistry. ... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#52 A new version of the XML standard has been proposed by the W3C. It has a minor incompatibility with XML1.0 which may benefit... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#51 PubCrawler is a free "alerting" service that scans daily updates to the NCBI Medline (PubMed) and GenBank databases. Registration required. Run from the genetics department... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#50 The International Spectroscopic Data Bank and Archive Project starting in 2002. Nearly all NMR, infra red and mass spectra are unavailable as there is no... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n5.html#49 A compilation of kinetics data on gas-phase reactions covering gas-phase radical chemistry - public beta release 1.1. The NDRL/NIST compilation of kinetics... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#48 Public access to global oceanographic and coastal data, products, and information.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#47 Patrick Brown is trying to raise money to support the review and publication of results for free. The Journal of Biology is a... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#46 Following reports of fraud, a physicist has just been sacked for scientific misconduct: Executive summary; Full Report. Genuine mistakes and misinterpretations... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#45 The Chemical Registry System (CRS) provides information on chemical substances and how they are represented in the Environmental Protection Agency (EPA) regulations and data systems.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#44 The founder of the widely-used physics preprint server receives a MacArthur fellowship. Cornell is pleased according to their newsletter. The ChemWeb... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#43 From August 12th, 1996, all scientific journals published in the Netherlands by Elsevier Science were be archived in the Koninklijke Bibliotheek in... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#42 It can be hard to show unambiguously that one method is better than another. This site, from NIST, provides reference data on 615 gas-phase molecules... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#41 A forum for scientists and engineers using molecule-based theories, modelling, and simulation. Activities include Cache - molecular modelling task force for teaching... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#40 Most journal articles now have DOIs - digital object identifiers, which allow unambiguous indexing (Resolve a DOI). In order to assign DOIs, publishers have... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#39 PredictProtein is a service for sequence analysis, and structure prediction, developed at Columbia University in New York, and hosted at the EMBL in Heidelberg.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#38 Reference Spectra Databases from Fiveash data management (mainly FTIR). The spectra are formatted for use with search software packages from other software and FTIR instrument... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n4.html#37 MIT is making many of its courses available on line, for free. This approach is different to the one taken by many other... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#36 The biomolecular modelling group of Cancer Research UK is run by Paul Bates. The former head of the group, Professor Michael Sternberg,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#35 "Enabling 'Molecular Modelling for Drug Design' on the World Wide Grid" is a project run from the School of Computer Science and Software Engineering... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#34 A new semmi-empirical Hamiltonian has been developed, PM5. This is available for all main group elements. Original announcements were made last year.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#33 The ASDL is an electronic library that collects, catalogs and links web-based information or discovery material (URLs) pertinent to innovations in curricular development and supporting... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#32 Professor Dijkstra died in August 2002; An archive of his papers is available. One of his most famous publications, from 1968, is:... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#31 Simulated Biomolecular Systems is a software company founded by members of Professor Peter Johnson's group at Leeds University. One of their products, Sprout,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#30 The Chiron computer program was developed by Professor Stephen Hanessian at the Universite de Montreal, for the analysis and perception of stereochemical features in organic... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#29 An information resource for scientists working on malaria research, maintained in Melbourne by The Walter and Eliza Hall Institute of Medical Research and at... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#28 At the Indiana University "Clearinghouse for Chemical Information Instructional Materials" (part of CHEMINFO) there is information on how to teach Chemical Information.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#27 Is it possible to go from spectra to structure automatically? ACD believes that it is, and is looking for data to test their programs.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#26 What is the future of academic publishing? This paper, from the Scholarly Publishing and Academic Resources Coalition (SPARC) suggests that every institution might create... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n3.html#25 In March, Professor Stuart Schreiber was awarded a $40 million grant to develop... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#24 A repository of the analytical methods used in FDA laboratories, from the center for food safety and applied nutrition. The FDA produces a number of... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#23 A professor of computer science at the University of New Brunswick, Canada, who is applying informatics to biological systems.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#22 A collaboration of the Center for the Public Domain (a non-profit foundation) and the University of North Carolina at Chapel Hill. For... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#21 Spectra Online database is a collection of public domain data from various sources, providing a range of spectroscopic information.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#20 A centre which serves both the University of Natal and wider South African society (not to be confused with the Unilever Centre for Molecular... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#19 This manual is made available by Merck who also publish the Merck Index, which is not freely available, on-line.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#18 A supplement to the lecture with links to public databases, by Lukas K. Buehler, at the University of California, San Diego.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#17 An internet drugs index, founded and is maintained by Neil Sandow, Pharm.D. a licensed California Pharmacist. Search brandnames, keywords, etc.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#16 JOELib is a platform independent open source computational chemistry package written in Java. The original C++ version is called OELib from OpenEye. Features... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#15 The discovery of element 118 has already been retracted, but now there is the suggestion of deliberate fraud. This sort of fraud is very... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#14 Software and database of spectral lines for emission analysis. A free demonstration version is available.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n2.html#13 The active molecules in traditional Chinese medicine are beginning to be analysed. A number of resources are now available:... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#12 The scholarly publishing and academic resources coalition is campaigning for more competition in scholarly publishing to make research articles in all academic fields more... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#11 Wavelets, are a mathematical modelling technique which are more effective that Fourier transforms for some applications, including electronic image formats and the FBI's fingerprint database.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#10 Domain name dispute resolution - a website maintained by Professor Michael Geist of the University of Ottawa Law School, containing studies of how disputes... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#9 Authors of Seti@home envisage an internet scale operating system. This would require huge network bandwidth, but 10 GB ethernet has now been demonstrated,... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#8 Simulations-plus are a software company which can supply a simulated intestine, a useful tool for modelling how drugs may be absorbed, distributed, metabolised and excreted... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#7 This company has a new approach, termed XEDs (extended electron distributions) to better understand the electronic properties of molecules. This technology has led to improved... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#6 XML namespaces are a mechanism to prevent elements and attributes within XML documents being confused when the documents are combined. The XML namespaces recommendation... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#5 This on-line handbook contains a large amount of background and technical information, including spectra, on the product line (over 2600 compounds) of Molecular Probes.... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#4 Chemometrics is the study of chemical data. Many web sites exist, including:... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#3 The on-line resource serving the spectroscopy community, from Wiley. It describes itself as a "Community of Interest" website, launched on May 1, 2001, and... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#2 The National Cancer Institute 3D structure database: a collection of 3D structures (Chem-X generated) for over 400,000 drugs... http://www-jmg.ch.cam.ac.uk/CIL/cil_v5n1.html#1 Washington Monthly has an article on how open-source biology. Molecular biology probably has the best examples of any scientific discipline open-source computer programs playing...