Maximum common property: a new approach for molecular similarity

Table 8 Comparison of the observed and predicted by OBabel_FP2 for several similarity thresholds

Threshold	Real-Predicted	Pairs	%	Predicted	Pairs	%
0.90	Active-active	42	31	Correct	77	56
	Inactive-inactive	35	26	Correct	77	56
	Active-inactive	32	23	Incorrect	60	44
	Inactive-active	28	20	Incorrect	60	44
	Total	137	100	Total	137	100
0.80	Active-active	101	32	Correct	170	55
	Inactive-inactive	69	22	Correct	170	55
	Active-inactive	65	21	Incorrect	141	45
	Inactive-active	76	24	Incorrect	141	45
	Total	311	100	Total	311	100
0.70	Active-active	133	24	Correct	277	49
	Inactive-inactive	144	26	Correct	277	49
	Active-inactive	86	15	Incorrect	287	51
	Inactive-active	201	36	Incorrect	287	51
	Total	564	100	Total	564	100

ISSN: 1758-2946