Chemical Informatics Letters

Volume 2, Issue 1; January 2001

Editor: Jonathan M Goodman


Science and Celera
Science has accepted a human genome paper from Celera, with unusual arrangements for making the raw sequence data available. Instead of insisting that the authors deposit the data in GenBank or a similar database Science has agreed to an arrangement whereby Celera makes the information available, under some conditions. Science is keeping a copy of the database to ensure that the access will continue to be possible. A statement from the editor of Science is available.

Drug information
A guide to more than 9,000 prescription and over-the-counter medications provided by the United States Pharmacopeia. A service of the USA National Library of Medicine.

A Web-based focal point for access to chemistry information resources of all kinds. Each resource is evaluated, classified and indexed, using the meta data recommendations of the Dublin Core. The site has over 10 000 hits a month, which is about 2-3 % of the traffic for the Cambridge Chemistry Department Web Server.

Centre for Molecular and Biomolecular Informatics
CMBI is based at the University of Nijmegen. Until 1999, it was known as the the CAOS/CAMM Centre. The research interests of the centre include organic synthesis, genome analysis, crystal polymorph prediction, small molecule and biomolecule datamining, and macromolecular structure analysis. The centre also provides databases and software.

Life Sciences Research at the OMG
This group aims to improve the quality and utility of software and information systems used in life sciences research through use of the Common Object Request Broker Architecture (CORBA) and the Object Management Architecture (OMA), to encourage the development of interoperable software tools and services in life sciences research and to use the Object Management Group (OMG) technology adoption process to standardise interfaces for software tools, services, frameworks, and components.

NWChem: high performance computational chemistry software
A computational chemistry package that is designed to run on high-performance parallel supercomputers as well as conventional workstation clusters, developed by the High-performance Computational Chemistry group of the Environmental Molecular Sciences Laboratory (EMSL) at the Pacific Northwest National Laboratory (PNNL).
German chemistry information service. The information is also available in English. This site is updated frequently, and provides an archive of software, tools, jobs, conferences, etc.

Web Sites:

Learning Chemistry through Java
Professor Andrew Rappe from the University of Pennsylvania has used Java to create some educational resources for chemistry.

Classic Chemistry
This website, run by Professor Carmen Giunta of Le Moyne College, New York, has a number of classic chemistry papers, a glossary of archiac chemical terms, and a history of chemistry calendar, giving month by month chemical anniversaries.

Marvin Applets
Marvin Applets 2.6, Marvin JavaBeans 2.6 and JChem 1.5 have been released. These Java tools are useful for building internet, intranet, distributed or standalone chemical applications.

© 2001 J M Goodman, Cambridge
Cambridge Chemistry Home Page CIL Chemical Calculations Goodman Research Group Webmaster: J M Goodman