. Author manuscript; available in PMC: 2015 Oct 5.

Published in final edited form as: J Chem Inf Model. 2015 Aug 12;55(8):1757–1770. doi: 10.1021/acs.jcim.5b00232

Table 3.

Performance of PoLi, LIGSIFT, FINDSITE^filt and AutoDock Vina on DUD and 65 DUD-E targets using modeled structures. PoLi^unbiased performance is obtained without performing biased structural overlap in hot-spot regions.

Method	AUC	EF^1%	EF^5%	EF^10%	HR^1%	HR^5%	HR^10%
Method	av \| sd	av \| sd	av \| sd	av \| sd	av \| sd	av \| sd	av \| sd

DUD-E database

AutoDockVina	0.60±0.13	3.0±2.8	2.1±1.5	1.8±1.0	4.9±4.7	6.3±4.8	11.1±6.9
FINDSITE^filt	0.69±0.16	7.9±11.3	3.9±3.8	2.9±2.2	12.1±17.0	11.2±11.6	16.8±13.1
LIGSIFT	0.67±0.14	5.9±8.7	3.5±3.4	2.7±1.9	8.9±11.1	10.3±10.1	15.8±12.3
PoLi ^unbiased	0.72±0.17	9.7±13.5	4.8±4.2	3.5±2.3	14.4±17.4	14.0±13.0	21.0±15.3
PoLi	0.73±0.16	9.6±12.7	4.7±4.2	3.6±2.3	14.3±17.0	13.9±13.2	21.1±15.3

DUD database

AutoDockVina	0.50±0.16	1.6±2.2	1.5±1.3	1.3±1.0	4.6±6.1	6.7±5.9	11.6±9.3
FINDSITE^filt	0.70±0.20	9.0±10.3	4.4±4.5	3.1±2.5	25.8±29.4	20.8±22.5	28.8±25.4
LIGSIFT	0.71±0.20	11.8±11.5	5.4±4.6	3.7±2.6	33.3±32.9	23.0±19.9	31.3±21.9
PoLi ^unbiased	0.77±0.19	12.3±10.4	6.6±4.8	4.5±2.9	35.0±29.8	29.0±22.2	39.3±26.9
PoLi	0.78±0.18	13.4±10.3	7.0±4.8	4.6±2.9	38.0±29.3	30.7±22.3	39.5±26.1

av: average; sd: standard deviation