Table 2.

Individual machine learning model cross validation Receiver Operator Curve Statistics. Where: IC₉₀ < 10µg/ml (CB2-TAACF) or 10µM and a selectivity index (SI) greater than ten were the SI is calculated from SI = CC₅₀/IC_90.

Mtb Models (training set N)	RP Forest (Out of bag ROC)	RP Single Tree (With 5 fold cross validation ROC)	SVM (with 5 fold cross validation ROC)	Bayesian (with 5 fold cross validation ROC)	Bayesian (leave out 50% × 100 ROC)
MLSMR dose response and cytotoxicity (2273)	0.78	0.77	0.80	0.83	0.82
TAACF-CB2 dose response and cytotoxicity (1783)	0.57	0.57	0.58	0.60	0.64
TAACF Kinase dose response and cytotoxicity (1248)	0.73	0.72	0.75	0.76	0.74
ARRA dose response and cytotoxicity (1924)	0.82	0.80	0.83	0.86	0.81