Table 1.

Statistical description of data sets

Data set	Activity	Threshold	hERG blockers	hERG non-blockers	Total	Tanimoto mean
Training set	IC50	$10\mathrm{\mu }\text{M}$	6643	5977	12620	0.124
Test set-I	IC50	$10\mathrm{\mu }\text{M}$	30	14	44	0.136
Test set-II	IC50	$10\mathrm{\mu }\text{M}$	11	30	41	0.116
Test set-III	IC50	$10\mathrm{\mu }\text{M}$	30	710	740	0.115