title: Empirical vs. "rational" methods of discovering new drugs.
abstract: 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.
authors.affiliation: Pharmacopeia Inc., Princeton, NJ 08543, USA. pgund@pharmacop.com
authors.forename: P
authors.initials: P
authors.lastname: Gund
mesh_terms: D016208:Databases, Factual; D015195:Drug Design; D007256:Information Systems; D010602:Pharmacopoeias as Topic; D012984:Software; D013329:Structure-Activity Relationship