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Table 5 Comparison with admetSAR on test sets 1 and 2 when the cutoff is 50%

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

Data set Model SE SP ACC AUC
Test set 1a Current Study 0.824 0.819 0.821 0.862
admetSAR 0.784 0.777 0.780 0.831
Test set 2a Current Study 0.692 0.825 0.773 0.849
admetSAR 0.769 0.725 0.742 0.787
  1. Bold numbers refer to the maximum value (optimum value) obtained from the corresponding evaluation index
  2. aTest set 1 and 2 contain 168 and 66 molecules after removing the molecules used in the admetSAR training set