Login / Signup
Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases.
John W. Raymond
Peter Willett
Published in:
J. Comput. Aided Mol. Des. (2002)
Keyphrases
</>
chemical structures
virtual screening
databases
drug discovery
similarity measure
similarity searching
knowledge discovery
chemical compounds
database
data structure
pairwise
relational databases
data sources
semi supervised
data management
similarity search
high throughput
metadata