Empirical vs. "rational" methods of discovering new drugs.
Empirical and theoretical approaches to drug discovery have often been perceived as mutually exclusive. Our experience has rather demonstrated that they can be complementary. The structure-based approach to design of compound libraries is clearly helpful; however, testing large libraries continues to reveal unanticipated actives in many of our programs. A rationale for these observations is offered.
Gund
P
P
Pharmacopeia Inc., Princeton, NJ 08543, USA. pgund@pharmacop.com
D016208:Databases, Factual; D015195:Drug Design; D007256:Information Systems; D010602:Pharmacopoeias as Topic; D012984:Software; D013329:Structure-Activity Relationship