Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints.

Mahendra Awale Xian Jin Jean-Louis Reymond

Published in: J. Cheminformatics (2015)

Keyphrases

database
chemical structures
virtual screening
databases
data sets
database systems
similarity searching
drug discovery
pairwise
relational databases
data model
database management systems
data warehouse
early stage