Maximum common property: a new approach for molecular similarity

Table 11 Comparison of the observed and predicted by SMSD for several similarity thresholds

Threshold	Real-predicted	Pairs	%	Predicted	Pairs	%
0.90	Active-active	39	34	Correct	75	65
	Inactive-inactive	36	31	Correct	75	65
	Active-inactive	19	17	Incorrect	41	35
	Inactive-active	22	19	Incorrect	41	35
	Total	116	100	Total	116	100
0.80	Active-active	52	28	Correct	106	57
	Inactive-inactive	54	29	Correct	106	57
	Active-inactive	48	26	Incorrect	81	43
	Inactive-active	33	18	Incorrect	81	43
	Total	187	100	Total	187	100
0.70	Active-active	63	30	Correct	121	57
	Inactive-inactive	58	27	Correct	121	57
	Active-inactive	48	23	Incorrect	91	43
	Inactive-active	43	20	Incorrect	91	43
	Total	212	100	Total	212	100

ISSN: 1758-2946