Reoptimization of MDL Keys for Use in Drug Discovery.

Joseph L. Durant Burton A. Leland Douglas R. Henry James G. Nourse

Published in: J. Chem. Inf. Comput. Sci. (2002)

Keyphrases

drug discovery
model selection
pharmaceutical industry
chemical compounds
early stage
virtual screening
scientific data
data mining
systems biology
biological systems
scoring function
discovery process
data sets
database systems
statistical analysis
data mining tools