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Table 4 The number of compounds that are inside and outside the AD determined by the non-parametric probability density distribution-based method in the training and test sets

From: ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning

DatasetInside ADOutside ADAD coverage (%)
N1aN2bN1aN2b
Training set879136100100
Test set21934011098
  1. aN1: the number of inhibitors
  2. bN2: the number of non-inhibitors