Chemoinformatics: Processing Structural Information In Chemical Databases
Peter Willett *
University of Sheffield
Chemoinformatics is the name given to a range of techniques that are used
for the storage, retrieval and processing of information about the structures
(either two-dimensional or three- dimensional) of chemical compounds. This
presentation will commence with an introduction to chemoinformatics, explaining
what it is and outlining its historical development, and then going on to
exemplify some of the techniques that are used to support the discovery of
novel bioactive molecules for the pharmaceutical and agrochemical industries.
*
