title: Computational studies, virtual screening, and theoretical molecular models.
authors.forename: Jürgen
authors.initials: J
authors.lastname: Bajorath
mesh_terms: D002626:Chemistry, Pharmaceutical; D003198:Computer Simulation; D008958:Models, Molecular; D010506:Periodicals as Topic / Q000592:standards; D021281:Quantitative Structure-Activity Relationship; D014584:User-Computer Interface