Table 8.

Mean ROC Enrichment at Various False Positive Rates

Kinase Set	Docking Method	Scoring Function	Structure Type	Mean ROC-AUC	95% CI	Mean ROC Enrichments
						0.5%	1.0%	2.0%	5.0%	10.0%
DUD-E	Glide	SVMGen	Crystal	0.77	0.72 – 0.82	27.8	20.2	13.8	7.9	5.0
			High	0.72	0.67 – 0.77	20.6	15.2	10.6	6.3	4.1
			Low	0.70	0.65 – 0.75	19.2	13.7	9.6	5.5	3.7
		GlideScore	Crystal	0.67	0.64 – 0.70	16.5	11.4	8.0	4.8	3.3
			High	0.62	0.59 – 0.65	15.3	10.4	7.0	4.1	2.9
			Low	0.60	0.57 – 0.63	14.0	8.8	5.5	3.6	2.4
	Vina	SVMGen	Crystal	0.77	0.72 – 0.82	27.6	20.3	13.8	7.8	5.0
			High	0.72	0.67 – 0.77	21.4	15.3	10.8	6.3	4.1
			Low	0.70	0.64 – 0.76	18.5	13.2	9.6	5.7	3.7
		GlideScore	Crystal	0.73	0.70 – 0.76	28.6	17.4	11.2	6.1	4.0
			High	0.65	0.61 – 0.69	11.5	8.2	5.8	3.8	2.7
			Low	0.62	0.65 – 0.68	4.0	3.2	2.6	2.2	2.0
SARfari	Glide	SVMGen	High	0.68	0.61 – 0.75	17.0	10.8	7.7	4.7	3.4
			Low	0.63	0.58 – 0.68	10.1	7.4	6.1	3.8	2.7
		GlideScore	High	0.70	0.65 – 0.75	20.9	15.5	9.5	5.4	3.6
			Low	0.63	0.60 – 0.66	8.3	5.9	4.7	2.8	2.3
	Vina	SVMGen	High	0.75	0.69 – 0.81	17.0	13.9	8.8	6.2	4.3
			Low	0.72	0.68 – 0.76	10.8	9.5	7.6	5.2	3.5
		GlideScore	High	0.61	0.55 – 0.67	10.2	7.3	5.3	3.5	2.5
			Low	0.59	0.55 – 0.63	7.6	5.7	3.8	2.5	2.0