MUG '98 -- 12th Annual Daylight User Group Meeting -- 26 February 1997

Recursive SMARTS for synthetic chemists

Geoff Skillman
UCSF, 513 Parnassus Ave., Box 0446, San Francisco, CA 94122


In order to make structure-based combinatorial design an efficient process, it is critical to have an organic chemist familiar with the pertinent reactions select the potential starting materials for a combinatorial library. To fascilitate this process, we have developed a "chemist friendly" cgi-based merlin client. This program allows the chemist to identify essential and contradictory functional groups and chemical properties using push-buttons and pull down menu selections from the comfort of their own internet browser. The cgi program then parses the chemist's selections into a series of merlin searches and carries them out, returning the results to the chemist's browser for further inspection.



Daylight Chemical Information Systems, Inc.