Volume 1, Issue 4; October 2000
Editor: Jonathan M Goodman
- Is your computer wasting its time looking for extra-terrestrial life when it could
be doing something useful? Solve the protein folding problem instead.
Professor Vijay Pande
at Stanford has written a program which allows you to do this.
- XML Standards for Chemical Industry
- A number of companies, including Dow, BASF and DuPont are supporting the initiatives
of the Chemical Industry Data eXchange (CIDX)
to coordinate XML standardisation for chemical e-commerce.
- Undergraduate Chemo-Informatics Laboratory
- Dr Henry Rzepa runs an undergraduate Chemo-informatics laboratory at Imperial College.
- OpenChem is an open source program for chemistry, written in
python and C. At the moment, it has just basic features:
molecular construction, vizualization, load and save pdb files, rotate and translate molecules,
structure creation and editing, energy minimization. Some more modules are planned.
- Relibase is a program for searching protein-ligand databases, written by
Manfred Hendlich and further developed at the
Cambridge Crystallographic Data Centre.
- TOXNET (Toxicology data network) is a group of databases for toxicology
and hazardous chemicals.
- Traditional Chemical Information
- The University of Illinois at Urbana-Champaign has put copies of some of its
chemistry books on its web site, illustrating how chemical information has been
handled over the last five hundred years. Read Priestly, Lavoisier and Dalton in
- Professor Curt Breneman
- Professor Curt Breneman research centres on physical organic and computational chemistry.
He is also involved in a project for the
automated design and discovery of novel pharmaceuticals using semi-supervised
learning in large molecular databases.
- National Centre for Biotechnology Information
- The NCBI creates public databases, conducts research in computational biology, develops
software tools for analyzing genome data, and disseminates biomedical information
- Information Systems for Biotechnology
- The ISB provides information for environmentally responsible use of agricultural
biotechnology. It is funded by the
United States Department of Agriculture and based at
© 2000 J M Goodman, Cambridge