Journal of Cheminformatics

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 1^a	Current Study	0.824	0.819	0.821	0.862
Test set 1^a	admetSAR	0.784	0.777	0.780	0.831
Test set 2^a	Current Study	0.692	0.825	0.773	0.849
Test set 2^a	admetSAR	0.769	0.725	0.742	0.787

Bold numbers refer to the maximum value (optimum value) obtained from the corresponding evaluation index
^aTest set 1 and 2 contain 168 and 66 molecules after removing the molecules used in the admetSAR training set

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ISSN: 1758-2946

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