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Table 3 Performance of the RF models on the two test sets when the cutoff is 50%

From: HobPre: accurate prediction of human oral bioavailability for small molecules

Data set Model SE SP ACC AUC MCC F1-score
Test set 1 Model 1 0.779 0.732 0.752 0.819 0.505 0.774
Model 2 0.746 0.786 0.769 0.826 0.529 0.798
Model 3 0.713 0.750 0.734 0.790 0.460 0.766
Model 4 0.745 0.732 0.738 0.801 0.473 0.764
Model 5 0.713 0.768 0.745 0.813 0.479 0.777
Consensus model 0.787 0.797 0.793 0.830 0.580 0.817
Test set 2 Model 1 0.673 0.899 0.816 0.839 0.596 0.860
  Model 2 0.673 0.876 0.801 0.880 0.565 0.848
  Model 3 0.577 0.854 0.752 0.840 0.452 0.813
  Model 4 0.692 0.865 0.801 0.857 0.568 0.846
  Model 5 0.673 0.831 0.773 0.862 0.509 0.822
  Consensus model 0.692 0.899 0.823 0.872 0.612 0.865
  1. Bold numbers refer to the maximum value (optimum value) obtained from the corresponding evaluation index