Stacking Multiple Molecular Fingerprints for Improving Ligand-Based Virtual Screening.

Yusuke Matsuyama Takashi Ishida

Published in: ICIC (2) (2018)

Keyphrases

virtual screening
drug discovery
chemical structures
similarity searching
high throughput
binding sites
scoring function
combining multiple
similarity search
database systems
chemical compounds
database
data sets
pairwise
early stage
optimal assignment