Evaluation of 11 Scoring Functions Performance on Matrix Metalloproteinases

Table 3

The performance characteristics of scoring functions in discrimination of true binders after docking.

	Scoring method	AUC of ROC curve	EF20%	EF10%	EF2%	EF1%
Glide (HTS)	Glide	0.653348	2.142857	2.5	1.785714	3.571429
	F-Score	0.242776	0	0	0	0
	PMF-Score	0.501041	0.535714	0.714286	0	0
	G-Score	0.551684	1.428571	1.428571	5.357143	10.71429
	D-Score	0.515996	1.428571	1.785714	7.142857	7.142857
	ChemScore	0.648363	2.678571	3.571429	7.142857	14.28571
	X-Score	0.56054	1.25	1.785714	1.785714	3.571429
	DSX	0.632341	2.142857	2.857143	1.785714	0
	Autodock	0.646775	1.964286	2.142857	7.142857	10.71429
	Vina	0.560097	1.25	1.071429	0	0
Glide (SP)	Glide	0.730062	2.758621	3.448276	8.62069	13.7931
	F-Score	0.409975	0.172414	0.344828	0	0
	PMF-Score	0.496598	0.689655	0.689655	0	0
	G-Score	0.56524	1.724138	1.724138	1.724138	3.448276
	D-Score	0.549838	1.206897	1.724138	1.724138	0
	ChemScore	0.757174	2.758621	4.827586	12.72414	20.68966
	X-Score	0.605001	1.896552	1.724138	1.724138	3.448276
	DSX	0.683476	2.586207	3.793103	6.896552	10.34483
	Autodock	0.690234	1.896552	3.793103	12.06897	13.7931
	Vina	0.592455	1.551724	1.37931	1.724138	3.448276
	PC1	0.79963	3.448276	5.862069	18.96552	34.48276