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Improving the accuracy of ultrafast ligand-based screening: incorporating lipophilicity into ElectroShape as an extra dimension.
M. Stuart Armstrong
Paul W. Finn
Garrett M. Morris
W. Graham Richards
Published in:
J. Comput. Aided Mol. Des. (2011)
Keyphrases
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high accuracy
data sets
computational cost
classification accuracy
precision and recall
improved accuracy
databases
neural network
data mining
case study
multi dimensional
high precision
computational efficiency
high throughput
highly accurate