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FLAP: GRID Molecular Interaction Fields in Virtual Screening. Validation using the DUD Data Set.
Simon Cross
Massimo Baroni
Emanuele Carosati
Paolo Benedetti
Sérgio Clementi
Published in:
J. Chem. Inf. Model. (2010)
Keyphrases
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virtual screening
data sets
drug discovery
chemical structures
similarity searching
high throughput
binding sites
scoring function
real world
database
high dimensional
gene expression data
training set
multi dimensional
systems biology