. 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 5.

Pocket specific predictions by PoLi on DUD-E and DUD database.

Pocket (# protein)	AUC	EF^1%	EF^5%	EF^10%	HR^1%	HR^5%	HR^10%
Pocket (# protein)	av \| sd	av \| sd	av \| sd	av \| sd	av \| sd	av \| sd	av \| sd

DUD-E database

Pocket 1 (65)	0.74±0.13	9.4±13.1	4.7±4.1	3.5±2.3	14.2±17.0	14.0±4.8	20.9±15.3
Pocket 2 (45)	0.64±0.13	2.5±3.1	2.1±2.1	1.9±1.4	4.1±5.5	6.4±7.9	11.6±10.2
Pocket 3 (27)	0.60±0.16	2.5±3.5	2.2±1.9	1.9±1.6	3.8±5.2	6.2±5.6	11.1±9.4
Pocket 4 (12)	0.66±0.13	2.4±2.9	2.5±1.8	2.4±1.5	3.9±5.0	7.5±6.4	14.1±10.1
Pocket 5 (6)	0.60±0.18	3.5±5.3	2.6±4.3	2.0±2.5	5.0±7.1	7.7±13.2	12.0±15.5

DUD database

Pocket 1 (40)	0.77±0.15	13.3±9.1	6.8±4.4	4.5±2.7	37.7±26.1	30.0±21.8	38.8±25.5
Pocket 2 (36)	0.64±0.18	2.3±4.0	2.4±3.0	2.2±2.2	6.5±11.6	11.8±15.2	21.3±22.5
Pocket 3 (23)	0.63±0.21	4.1±5.7	2.8±3.3	2.3±2.3	11.6±16.0	13.2±16.0	22.0±22.9
Pocket 4 (14)	0.65±0.22	3.3±9.7	2.8±3.6	2.5±2.1	9.1±26.9	13.3±17.9	24.2±21.8
Pocket 5 (8)	0.74±0.13	4.9±5.9	3.9±3.1	3.3±2.1	14.3±17.4	18.7±16.0	31.5±21.4