Table 1.

The individual performance of best 10 selected fingerprints using MCC based approach

Best 10 fingerprints	Sensitivity	Specificity	Accuracy	MCC	FPR	AUC
PubchemFP12	79.3	65.1	71.69	0.45	0.48	0.72
ExtFP1013	52.5	85.7	70.19	0.41	0.65	0.69
ExtFP1012	78.4	61.9	69.61	0.41	0.47	0.7
PubchemFP192	58.4	79.4	69.6	0.39	0.61	0.69
GraphFP382	73.3	63.8	68.27	0.37	0.50	0.69
ExtFP1016	42	88.7	66.91	0.35	0.71	0.65
PubchemFP199	28.1	95.4	64.01	0.32	0.80	0.62
ExtFP1015	70.7	61.5	65.77	0.32	0.50	0.66
MACCSFP105	70.1	60.6	64.98	0.31	0.50	0.65
FP799	34.7	89.6	64.01	0.29	0.75	0.62