Sensitivity, specificity, accuracy, PPV, NPV, and MCC values of the CoMFA and CoMSIA (S + E + H + D + A) models.

Model	Sensitivity	Specificity	Accuracy	PPV	NPV	MCC
CoMFA	0.9667	0.9167	0.9524	0.9667	0.9167	0.8833
CoMSIA	0.9667	0.8333	0.9286	0.9355	0.9091	0.8220