web - based cheminformatics for bench chemists

involved into the modern medicinal chemist’s work. This is mainly a result of an exponential growth of the amount of data needed to be processed and analysed in the process of modern drug discovery and development. Typical tasks involved in this process include the following: ● fast access to structural and bioactivity data from the corporate database ● substructure and molecular similarity searches ● calculation of physicochemical molecular properties ● SAR (structure-activity relationship) analysis ● selection of representative or diverse subset of molecules from a large set By Peter Ertl, Wolfgang Miltz, Bernhard Rohde and Paul Selzer