. 2021 Apr 16;6(16):10921–10935. doi: 10.1021/acsomega.1c00681

Table 3. Docking Enrichment Comparison Using Different Scoring Functions. Metrics of DSX^PDB scores post PLIF-M3 filtration and Goldscore with no PLIF filtration are shown in bold for comparison.

	GoldScore			ChemPLP			ChemScore			DSX^PDB
(re)scoring method/PLIF	AUROC	EF1%	EF5%	AUROC	EF1%	EF5%	AUROC	EF1%	EF5%	AUROC	EF1%	EF5%
none	0.79	4.64	3.97	0.86	9.28	6.96	0.79	9.28	4.97	0.81	9.28	3.97
PLIF-M1	0.74	8.26	4.91	0.83	8.26	5.90	0.78	8.26	5.90	0.84	8.26	7.86
PLIF-M2	0.76	8.80	6.09	0.75	4.40	5.08	0.77	4.40	5.08	0.86	8.80	8.12
PLIF-M3	0.77	4.88	4.88	0.80	4.88	4.88	0.79	4.88	6.83	0.86	9.76	6.83
PLIF-M4	0.76	8.77	6.07	0.74	4.38	5.06	0.77	4.38	6.07	0.86	8.77	8.09

Table 3. Docking Enrichment Comparison Using Different Scoring Functions. Metrics of DSXPDB scores post PLIF-M3 filtration and Goldscore with no PLIF filtration are shown in bold for comparison.