Table 2. Enrichment Analysis for Refined Pharmacophore Models.

		active and inactive compounds in the dataset		virtual screening resultsb
approach	target	active	decoy	active	decoy	EF
ELIXIR-A	HIVPR	536	35,750	3	16	10.69
LigandScout				253	3236	4.91
Phase				36	5409	0.45
ELIXIR-A	ACES	408	26,250	201	3349	3.70
LigandScout				190	2913	4.00
Phase				167	8308	1.29
ELIXIR-A	CDK2	335	27,850	189	1597	8.90
LigandScouta
Phase				33	345	7.34

^aLigandScout lacked sufficient independent matching of pharmacophore features within tolerances to generate alignment.

^bSome molecules in the dataset have multiple tautomer confirmations. The output will only include a unique active/decoy molecule with minimum RMSD from pharmacophore matching.