Chemoinformatics--a new name for an old problem?
Library chemistry and high-throughput screening require greater use of chemoinformatics to increase their effectiveness. Recent advances in chemoinformatics include new molecular descriptors and pharmacophore techniques, statistical tools and their applications. Visualisation methods and hardware development are also opening new opportunities. The advent of a chemically aware web language and cross-platform working is ensuring that chemoinformatics methods are becoming available to all chemists in a more appropriate manner. Much time will continue to be wasted with incompatible file types without internationally agreed standards.
Hann
M
M
GlaxoWellcome Medicines Research Centre, Gunnels Wood Road, Stevenage, Hertfordshire, SG1 2NY, UK. mmh1203@ggr.co.uk
Green
R
R
D055598:Chemical Phenomena; D002621:Chemistry; D003201:Computers; D015195:Drug Design; D007254:Information Science; D012984:Software