Chemical Informatics Letters

Volume 5, Issue 2; August 2002

Editor: Jonathan M Goodman

Chinese Medicine
The active molecules in traditional Chinese medicine are beginning to be analysed. A number of resources are now available:

Software and database of spectral lines for emission analysis. A free demonstration version is available.

Element 118?
The discovery of element 118 has already been retracted, but now there is the suggestion of deliberate fraud. This sort of fraud is very hard to discover, because the experiments are so difficult. If other groups fail to reproduce the results, this does not necessarily mean that the original reports are mistaken or fraudulent. Bell Labs are also investigating the allegation that recent research may not be reproducable.

JOELib is a platform independent open source computational chemistry package written in Java. The original C++ version is called OELib from OpenEye. Features include: import and export filter for SMILES; 'SMiles ARbitrary Target Specification' (SMARTS) substructure search; Chemical Markup Language (CML); POVRay export (including aromatic rings)

An internet drugs index, founded and is maintained by Neil Sandow, Pharm.D. a licensed California Pharmacist. Search brandnames, keywords, etc.

Introduction to Metabolic Biochemistry
A supplement to the lecture with links to public databases, by Lukas K. Buehler, at the University of California, San Diego.

The Merck Manual of Diagnosis and Therapy, Seventeenth Edition
This manual is made available by Merck who also publish the Merck Index, which is not freely available, on-line.

Unilever Centre for Ethics
A centre which serves both the University of Natal and wider South African society (not to be confused with the Unilever Centre for Molecular Informatics).

Spectra Online database is a collection of public domain data from various sources, providing a range of spectroscopic information.

The public's library and digital archive
A collaboration of the Center for the Public Domain (a non-profit foundation) and the University of North Carolina at Chapel Hill. For example a computer science book available for several languages including Java.

Professor Lev Goldfarb
A professor of computer science at the University of New Brunswick, Canada, who is applying informatics to biological systems.

FDA: Elemental Analysis Manual
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 science references from the Office of regulatory affairs.

© 2002 J M Goodman, Cambridge
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