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Lead Finder docking and virtual screening evaluation with Astex and DUD test sets.
Fedor N. Novikov
Viktor S. Stroylov
Alexey A. Zeifman
Oleg V. Stroganov
Val Kulkov
Ghermes G. Chilov
Published in:
J. Comput. Aided Mol. Des. (2012)
Keyphrases
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test set
virtual screening
error rate
training data
training set
test cases
chemical structures
drug discovery
data sets
feature extraction
active learning
supervised learning
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