StructRank: A New Approach for Ligand-Based Virtual Screening.

Fabian Rathke Katja Hansen Ulf Brefeld Klaus-Robert Müller

Published in: J. Chem. Inf. Model. (2011)

Keyphrases

virtual screening
drug discovery
chemical structures
similarity searching
high throughput
scoring function
binding sites
similarity search
early stage
database
systems biology
microarray
access methods
data collection
chemical compounds
pairwise
data mining