Chemical Informatics Letters

Volume 4, Issue 5; May 2002

Editor: Jonathan M Goodman


Information for scientists (May 2002)
How can scientific information be made available and kept available at an affordable price? How can the research community in the developing world keep up with the lateest research, when main-stream journals are so expensive? There are many projects which might help to provide answers, including: - The Open Archives Initiative (supported by the Digital Library Federation, the Coalition for Networked Information, and the National Science Foundation) - the open society institute in Budapest (supported by George Soros) - a not-for-profit electronic publishing service committed to providing access to quality research journals published in developing countries (joint initiative of University of Toronto Libraries, Canada, Reference Center on Environmental Information, Brazil and Bioline/UK) - Electronic Publishing Trust for Development (based in Worksop, UK, with trustees from around the world) - International Network for the Availability of Scientific Publications (financial support from British Medical Association, Carnegie Corporation of New York, CDSI, CTA, Danida, French Ministry of Foreign Affairs, National Academy of Sciences (USA), NORAD, Reuters, Royal Swedish Academy of Sciences, Sida, UNESCO and WHO.) - Scientific Electronic Library Online, an electronic library for some Brazilian scientific journals.

Sourceforge (May 2002)
The world's largest open source development web site. Chemical contributions include:

A program to convert between many different molecular data formats.

CML sourceforge
Chemical mark-up language - XML for molecules

JOELib is an open source computational chemistry package written in Java by Jörg Kurt Wegner, which can manipulate a number of structure formats.

A free, open source molecule viewer

VEGA (May 2002)
The Drug Design Laboratory at Milan University is developing VEGA, a bridge between many molecular software packages. It can analyze, display and manage the 3D structures of molecules.

Conceptor and Synergix (May 2002)
Molecular Conceptor is a drug discovery tool from Synergix.

Actelion Property Explorer (May 2002)
A free web page with a Java based molecule editor predicting various drug-relevant properties on the fly, from Actelion - Creative Science for Advanced Medicine

logP calculation (May 2002)
A Java Applet which calculates logP - the partition coefficient between water and n-octanol.

Molinspiration (May 2002)
Property Calculation - logP and drug-likeness.

JME (May 2002)
Peter Ertl's Java Molecular Editor is available free of charge, if the license conditions are fulfilled. More information from Molinspiration.

Model Science Software (May 2002)
Chemistry Lab Simulations for the Classroom, the Laboratory and the Internet, developed in Canada.

Web Sites:

Solvent database (May 2002)
The National Center for Manufacturing Sciences makes available Solv-DB: a database of solvents.

History of Scientific Information and Communication (May 2002)
Thomas Hapke, Subject Librarian for Chemical Engineering Technical University Hamburg-Harburg, has created a resource for the history of scientific information.

Cheminformatics in China (May 2002)
The University of Science and Technology of China has a chemical informatics resource.

© 2002 J M Goodman, Cambridge
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