Table 4. Docking results and enrichment factors for the chEMBL hH₄R antagonists (external data set) and the focused library data sets.

Filtering Method:	Data set:	Verification Set		Focused Library
		chEMBL Ligands	Random Set	Focused Set	Random Set
Two EE clusters+Distance score = {1,2}	Compounds Passed (%)	62.9	4.3	24.1	4.4
	Enrichment factor	14.6		5.5
Two EE clusters+Distance score = 2	Compounds Passed (%)	14.8	0.9	7.7	0.7
	Enrichment factor	16.4		11

Percent represents the fraction of total docked compounds which passed each filter. For enrichment calculations sub-sampling was used and the mean enrichment factors of the sampled groups are given.