Chemical Informatics Letters

Volume 8, Issue 6; June 2004

Editor: Jonathan M Goodman

Software Patents in the EU
It has been possible to patent computer software in the USA since the 1980s (brief history) but it has not been possible in Europe. The European Union Council has now considered this, and has voted for software patents although doubts remain and the effect this will have is unclear. The Foundation for Free Information Infrastructure (FFII) is campaigning against software patents.

pKa calculation
Many programs are available for the calculation of the pKa of molecules, usually based on the correlation of sigma constants of functional groups with pKa.

ChemBank is a freely available collection of data about small molecules, concentrating on their effects in biology. Resources for studying their properties are also available. A database of 900 000 molecules can be searched or browsed.

Proposal for roentgenium
Roentgenium has been proposed as the name for the element with atomic number 111, after Wilhelm Conrad Röntgen, the discoverer of X-rays.

Electronic Laboratory Notebooks
The Pacific North West National Laboratory's collaboratory has produced a list of electronic laboratory notebooks in the collaboratory and beyond. A fuller list is available from Full annotation of chemical processes is a difficult challenge, even for superficially straightforward tasks such as making tea.

ALB Crystallography
This site is run by Armel Le Bail at the Université du Maine contains a variety of crystallographic resources, and a list of the 10858 most cited chemists (1981 - 1997).

NASA Institute for Advanced Concepts [NIAC]
The NASA Institute for Advanced Concepts is an institute of the Universities Space Research Association, and focuses on revolutionary concepts for space and aeronautics research. The institute funds revolutionary projects, and encourages applicants not to let preoccupation with reality stifle imagination. However, proposals based solely on technically unsubstantiated science fiction will not be accepted. Can chemistry make such a leap, or is its progress inevitably incremental?

SynGen is a organic synthesis generating program, developed by Professor James B. Hendrickson's research group at Brandeis University, which abstracts reactions and compares them with a database of reactions. A similar approach is taken by Lhasa, which relies on chemistry knowledge bases. This is different to reaction prediction, which is the aim of CAMEO (Professor William Jorgensen) and EROS (Professor Johann Gasteiger)

Chemistry 2000 [c2k]
Chemistry 2000 (c2k) continues to provide up to date information on chemistry departments, learned societies and chemistry journals. Since the last report in June 2003 (Chem. Inf. Lett. 2003, 6, #6, 61) the database has grown slightly - up by 2 % in the last year, with 2978 entries. The peak during the year was 2984 entries, and the average number of sites marked as inaccessible was less than twenty.

Subcommittee of the Analytical Chemistry Division supersedes the Commission on Solubility Data. Solubility - in cil v7n5

The Oxford Chemistry Department has set up on-line interactive science experiments, including Photodiode Experiments and Phosphorescent Decay.

Index Medicus to cease print at the end of 2004
The printed Index Medicus, started in 1879, will cease at the end of 2004. The National Library of Medicine stopped publication of the annual Cumulated Index Medicus in 2000, and PubMed was recognised as the definitive permanent source of MEDLINE in the same year.

© 2004 J M Goodman, Cambridge
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