Hit expansion through computational selectivity searching.
Stumpfe
Dagmar
D
Department of Life Science Informatics, Bonn-Aachen International Center for Information Technology, Rheinische Friedrich-Wilhelms-Universität Bonn, Dahlmannstr. 2, 53113 Bonn, Germany.
Frizler
Maxim
M
Sisay
Mihiret T
MT
Batista
José
J
Vogt
Ingo
I
Gütschow
Michael
M
Bajorath
Jürgen
J
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
D011480:Protease Inhibitors; D002403:Cathepsins; D056657:Cathepsin K