title: Hit expansion through computational selectivity searching.
authors.affiliation: Department of Life Science Informatics, Bonn-Aachen International Center for Information Technology, Rheinische Friedrich-Wilhelms-Universität Bonn, Dahlmannstr. 2, 53113 Bonn, Germany.
authors.forename: Dagmar
authors.initials: D
authors.lastname: Stumpfe
authors.forename: Maxim
authors.initials: M
authors.lastname: Frizler
authors.forename: Mihiret T
authors.initials: MT
authors.lastname: Sisay
authors.forename: José
authors.initials: J
authors.lastname: Batista
authors.forename: Ingo
authors.initials: I
authors.lastname: Vogt
authors.forename: Michael
authors.initials: M
authors.lastname: Gütschow
authors.forename: Jürgen
authors.initials: J
authors.lastname: Bajorath
mesh_terms: D000465:Algorithms; D056657:Cathepsin K; D002403:Cathepsins / Q000037:antagonists & inhibitors / Q000737:chemistry*; D019295:Computational Biology; D017076:Computer-Aided Design; D016208:Databases, Factual; D020128:Inhibitory Concentration 50; D011480:Protease Inhibitors / Q000737:chemistry* / Q000494:pharmacology
chemical_list: D011480:Protease Inhibitors; D002403:Cathepsins; D056657:Cathepsin K