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Predictive QSAR modeling based on diversity sampling of experimental datasets for the training and test set selection.

Alexander GolbraikhAlexander Tropsha
Published in: J. Comput. Aided Mol. Des. (2002)
Keyphrases
  • test set
  • training set
  • error rate
  • test data
  • test cases
  • training data
  • sampling methods
  • random selection
  • face images
  • class distribution
  • evaluation methodology
  • training and test data