Chemical Informatics Letters

Volume 2, Issue 6; June 2001

Editor: Jonathan M Goodman


Chemical Heritage Foundation
The Chemical Heritage Foundation (CHF) promotes the heritage and public understanding of the chemical and molecular sciences by operating the Othmer library, a historical research library, and running the Beckman Centre for the history of Chemistry.

Synthesis Planning
A list of synthesis planning programs, collated by Koen van Aken

Nucleic Acid Database
The Nucleic Acid Database Project (NDB) assembles and distributes structural information about nucleic acids.

Cheminformatics Course at UMIST
The chemistry department at UMIST have started a new cheminformatics MSc course. The course is full time, but it is anticipated that the course will become available via a distance learning route. It is being run by Dr Andy Whiting and Dr Brian Booth

Cheminformatics and Rensselaer Polytechnic Institute
The Rensselaer Polytechnic Institute runs a cheminformatics course from its IT department.

World Wide Web Consortium Issues XML Schema as a W3C Recommendation
Two years of development produces a comprehensive solution for XML vocabularies: XML Schema What is the difference between DTDs and Schemas? Ds are rules on how the document is to be "formatted". In other words, where certain elements and tags are to be placed within a document. This refers to the document's structure. Eg HTML, BODY As long as those are in the correct order (as specified by the DTD), the document is "verified" correct by a validating parser. Yet, this has nothing to do with the data between those tags. This is where schemas come in. They represent a validation against not only the document's structure, but also the data it contains. You could liken it to the constraint on a database table's field. I.e., CustomerType = V or I (Valid, or Invalid). To continue the example from above, you could specify a schema the restricts the content of the data between the html and body tags.

New Scientist: Biologists in Norway have used a computer program to "read" the scientific literature and successfully predict gene interactions. This data-mining of the "biobibliome" provides a way of dealing with the ever-increasing torrent of biological data - millions of papers a year. But even more impressively, the completely automated process can make new genetic discoveries - essentially free research.

State Academies of Science Abstracts
Covers journal of USA state academies, including chemistry. Must pay to get the information

Free net
Freenet is a large-scale peer-to-peer network which pools the power of member computers around the world to create a massive virtual information store open to anyone to freely publish or view information of all kinds. Now beginning to develop an SQL interface.

Web Sites:

Chemical Informatics Notes
Lecture notes on chemoinformatics by Dr Christoph Steinbeck of the Max-Planck-Institute of Chemical Ecology

Rosetta Inpharmatics
Rosetta Inpharmatics producecs informational genomics solutions. Its mission is to innovate and integrate technologies in computational and molecular biology to catalyze discovery for the life sciences industry. It has just been bought by Merck.

Spectroscopy Now
On line resource serving spectroscopy, including: Mass Spectrometry (incorporating Base Peak) X-ray Spectrometry NMR (incorporating NMR Knowledge Base) Chemometrics (incorporating Chemometrics World)

© 2001 J M Goodman, Cambridge
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