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

Table 3 Statistical results of the seven classification models for the cluster fivefold cross-validated training set

	Training set (cluster fivefold cross-validation)
	GA	BA	MCC	AUC
SVM	0.910	0.901	0.810	0.954
DNN	0.905	0.897	0.794	0.949
XGBoost	0.905	0.897	0.800	0.959
SGB	0.901	0.892	0.791	0.956
RLR	0.879	0.876	0.748	0.935
k-NN	0.867	0.863	0.722	0.918
NB	0.819	0.823	0.634	0.896

ISSN: 1758-2946