title: Chemical substructures in drug discovery.
abstract: The widespread use of HTS and combinatorial chemistry techniques has led to the generation of large amounts of pharmacological data, which, in turn, has catalyzed the development of computational methods designed to reduce the time and cost in identifying molecules suitable for pharmaceutical development. This review focuses on the use of substructure-based in silico techniques for lead discovery, an effective and increasingly popular approach for augmenting the chance of selecting drug-like compounds for preclinical and clinical development.
authors.affiliation: Serono Pharmaceutical Research Institute, 14, ch. des Aulx, 1228-Plan-les-Ouates, Geneva, Switzerland.
authors.forename: Cédric
authors.initials: C
authors.lastname: Merlot
authors.forename: Daniel
authors.initials: D
authors.lastname: Domine
authors.forename: Christophe
authors.initials: C
authors.lastname: Cleva
authors.forename: Dennis J
authors.initials: DJ
authors.lastname: Church
mesh_terms: D002626:Chemistry, Pharmaceutical; D020650:Combinatorial Chemistry Techniques; D016208:Databases, Factual; D015195:Drug Design; D008956:Models, Chemical; D008968:Molecular Conformation; D004364:Pharmaceutical Preparations; D013329:Structure-Activity Relationship
chemical_list: D004364:Pharmaceutical Preparations