Table 2. Performance of the Fingerprinting Methods.

	MACCS		ECFP
	activator	inhibitor	activator	inhibitor
K = 2
cluster 1	33	48	12	49
cluster 2	51	1	72	0
K = 3
cluster 1	45	1	67	0
cluster 2	0	47	17	2
cluster 3	39	1	0	47
K = 4
cluster 1	16	0	42	0
cluster 2	0	47	14	2
cluster 3	36	1	0	47
cluster 4	32	1	28	0
K = 5
cluster 1	44	0	31	0
cluster 2	1	32	0	42
cluster 3	0	29	0	28
cluster 4	0	13	16	0
cluster 5	4	10	2	14
K = 6
cluster 1	44	0	2	14
cluster 2	1	32	0	42
cluster 3	0	29	16	0
cluster 4	0	12	31	0
cluster 5	3	6	0	14
cluster 6	1	5	0	14