Chemoinformatics

Peter Willett
2004 Proceedings of the 27th annual international conference on Research and development in information retrieval - SIGIR '04  
Chemoinformatics is the generic name for the techniques used to represent, store and process information about the two-dimensional (2D) and three-dimensional (3D) structures of chemical molecules [1, 2] . Chemoinformatics has attracted much recent prominence as a result of developments in the methods that are used to synthesize new molecules and then to test them for biological activity. These developments have resulted in a massive increase in the amounts of structural and biological
more » ... iological information that is available to support discovery programmes in the pharmaceutical and agrochemical industries.
doi:10.1145/1008992.1008994 dblp:conf/sigir/Willett04 fatcat:7vvsvszemfchlin2pdehsjyu4m