title: Large compound databases for structure-activity relationships studies in drug discovery.
abstract: Large libraries of chemical compounds reflect the exponentially growing data-enrichment in drug discovery that trends towards fully automated informatics solutions to study structure - activity relationships by screening docked ligand candidates to biological target structures. We review otherwise disseminated user descriptions of mainly public databases with free access and also our integrated data mining tool GPDBnet for phyto-pharmacology.
authors: Departamento de Farmacia, Facultad de Ciencias Químicas, Benemérita Universidad Autónoma de Puebla, Puebla, Pue, México. tscior@siu.buap.mx
authors: Thomas
authors: T
authors: Scior
authors: Philippe
authors: P
authors: Bernard
authors: José Luis
authors: JL
authors: Medina-Franco
authors: Gerald M
authors: GM
authors: Maggiora
mesh_terms: D016208:Databases, Factual; D015195:Drug Design; D016247:Information Storage and Retrieval; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D013329:Structure-Activity Relationship
chemical_list: D004364:Pharmaceutical Preparations