Sets	N	Descriptors	TP	FN	TN	FP	Sens	Spec	Acc	MCC
training CV test	67   16	AlogP	32 32 6	8 8 4	14 14 5	13 13 1	0.800 0.800 0.600	0.519 0.519 0.833	0.687 0.687 0.688	0.333 0.333 0.423
training CV test	67   16	AlogP, HBD	34 34 5	6 6 5	16 12 6	11 12 0	0.850 0.850 0.500	0.593 0.556 1.000	0.748 0.731 0.688	0.462 0.429 0.522
training CV test	67   16	AlogP, HBD, MW	31 31 5	9 9 5	17 15 6	10 12 0	0.775 0.775 0.500	0.630 0.556 1.000	0.716 0.687 0.688	0.407 0.338 0.522
training CV test	67   16	AlogP, HBD, TPSA	34 34 6	6 6 4	20 20 6	7 7 0	0.850 0.850 0.600	0.741 0.741 1.000	0.806 0.806 0.750	0.595 0.595 0.600
training CV test	67   16	AlogP, HBD, MW, TPSA	33 32 6	7 8 4	20 19 6	7 8 0	0.825 0.800 0.600	0.741 0.704 1.000	0.791 0.761 0.750	0.566 0.504 0.600
training CV test	67   16	α, ∑Ca, ∑Cd	35 32 7	5 8 3	18 17 6	9 10 0	0.875 0.800 0.700	0.667 0.630 1.000	0.791 0.731 0.812	0.560 0.436 0.683