Computational approaches for combinatorial library design and molecular diversity analysis.
New approaches for combinatorial library design and molecular diversity analysis have been developed by extending previous work from the fields of quantitative structure-activity relationship, computational chemistry, and chemical information. Recent work has begun to address design efficiency and validation of descriptors for combinatorial library design.
Blaney
J M
JM
Chiron Corporation, 4560 Horton Street, Emeryville, CA 94608, USA. jeff_blaney@cc.chiron.com
Martin
E J
EJ
D002625:Chemistry, Organic; D007202:Indicators and Reagents; D055601:Organic Chemistry Phenomena; D013329:Structure-Activity Relationship
D007202:Indicators and Reagents