Exploring activity cliffs in medicinal chemistry
J Med Chem
.
2012 Apr 12;55(7):2932-42.
doi: 10.1021/jm201706b.
Epub 2012 Jan 27.
Authors
Dagmar Stumpfe
1
,
Jürgen Bajorath
Affiliation
1
Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstrasse 2, D-53113 Bonn, Germany.
PMID:
22236250
DOI:
10.1021/jm201706b
No abstract available
MeSH terms
Computer Graphics
Data Mining
Drug Discovery / methods*
Ligands
Molecular Structure
Pharmaceutical Preparations / chemistry*
Structure-Activity Relationship
Substances
Ligands
Pharmaceutical Preparations