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Conformational Sampling for Large-Scale Virtual Screening: Accuracy versus Ensemble Size.
Axel Griewel
Ole Kayser
Jochen Schlosser
Matthias Rarey
Published in:
J. Chem. Inf. Model. (2009)
Keyphrases
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virtual screening
training data
real world
training set
high precision
similarity searching
low dimensional
roc curve
drug discovery
chemical structures