SYNthesis LIBrary-graphics at the bench.

Abstract

As part of our continuing research program in the application of computer systems for laboratory scientists, we are developing a chemical reaction retrieval computer program. Program SYNLIB (SYNthesis LIBrary) is a joint research effort between the Chemical Technologies Department, Smith Kline & French Laboratories (SKF), and Professor W. Clark Still, Columbia University. SYNLIB employs very simple graphics instructions that permit the novice user to pose chemical structural questions against a library of chemical reaction citations. The library of citations is gleaned from the published literature and from proprietary research files. Each citation consists of the structural diagram of reactants and products, a literature reference, yield, reaction conditions, steps/reagents, and, when appropriate, disallowed coexisting functional groups. SYNLIB complements the functions of predictive synthesis computer programs (eg, SECS, LHASA), and has been enthusiastically received in our laboratories. The current program strategies will be presented and discussed, along with new research directions that derive from the distribution of chemical graphics technology into the chemical laboratory.