TABLE 3.

Discovery Studio Bayesian model training and test set statistics for each probe substrate and consensus of metformin, NBD-MTMA, TEA, and cimetidine

	Training/Test	ROC LOO	ROC (5-fold)	Sensitivity	Specificity	Concordance
Metformin	Training	0.840	0.802	0.875	0.854	0.858
	Test		0.848	0.643	0.833	0.800
MPP	Training	0.815	0.779	0.919	0.658	0.683
	Test		0.619	0.667	0.514	0.525
NBD-MTMA	Training	0.844	0.806	0.896	0.833	0.845
	Test		0.837	0.857	0.636	0.675
TEA	Training	0.815	0.789	0.895	0.857	0.863
	Test		0.800	0.867	0.754	0.775
Cimetidine	Training	0.827	0.784	0.969	0.758	0.800
	Test		0.806	0.813	0.766	0.775
ASP	Training	0.806	0.768	0.959	0.741	0.791
	Test		0.838	0.842	0.803	0.813
Consensus	Training	0.836	0.798	0.884	0.861	0.865
	Test		0.823	0.857	0.667	0.700

LOO, leave-one-out.