Table 3. Percentage of Compounds in the Reference Data Sets Covered by Compounds in the Three In Vivo Endpoint Data Sets (MNT, DILI, DICC) at Given Similarity Thresholds.

		endpoint
parameter	Tanimoto coefficient thresholda	MNT	DILI	DICC
% coverage pesticides	1.0	16	2	6
	≥0.8	17	2	7
	≥0.6	29	3	11
	≥0.4	62	10	36
	≥0.2	99	85	97
% coverage cosmetics	1.0	10	1	7
	≥0.8	14	1	9
	≥0.6	29	3	17
	≥0.4	68	17	58
	≥0.2	99	89	99
% coverage drugs	1.0	8	7	34
	≥0.8	9	8	37
	≥0.6	16	15	51
	≥0.4	40	34	73
	≥0.2	99	96	100

^aTanimoto coefficients calculated from binary Morgan fingerprints (1024 bits and radius 2).