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Evaluating Point-Prediction Uncertainties in Neural Networks for Drug Discovery.

Ya Ju FanJonathan E. AllenKevin S. McLoughlinDa ShiBrian J. BennionXiaohua ZhangFelice C. Lightstone
Published in: CoRR (2022)
Keyphrases
  • drug discovery
  • neural network
  • drug design
  • subcellular localization
  • chemical compounds
  • pharmaceutical industry
  • early stage
  • virtual screening
  • systems biology
  • data mining
  • discovery process