Current trends in ligand-based virtual screening: molecular representations, data mining methods, new application areas, and performance evaluation
J Chem Inf Model
.
2010 Feb 22;50(2):205-16.
doi: 10.1021/ci900419k.
Authors
Hanna Geppert
1
,
Martin Vogt
,
Jürgen Bajorath
Affiliation
1
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.
PMID:
20088575
DOI:
10.1021/ci900419k
No abstract available
Publication types
Review
MeSH terms
Amino Acid Sequence
Data Mining / methods*
Drug Evaluation, Preclinical / methods*
Informatics
Ligands
Molecular Sequence Data
Reproducibility of Results
User-Computer Interface*
Substances
Ligands