Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation.
Geppert
Hanna
H
Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universitat, Dahlmannstrasse 2, D-53113 Bonn, Germany.
Vogt
Martin
M
Bajorath
Jürgen
J
D000595:Amino Acid Sequence; D057225:Data Mining / Q000379:methods*; D004353:Drug Evaluation, Preclinical / Q000379:methods*; D048088:Informatics; D008024:Ligands; D008969:Molecular Sequence Data; D015203:Reproducibility of Results; D014584:User-Computer Interface
D008024:Ligands