Visualization and Virtual Screening of the Chemical Universe Database GDB-17.

Lars Ruddigkeit Lorenz C. Blum Jean-Louis Reymond

Published in: J. Chem. Inf. Model. (2013)

Keyphrases

chemical structures
virtual screening
database
drug discovery
similarity searching
chemical compounds
databases
database systems
high throughput
data sets
data management
metric space
binding sites
scoring function