Table 3.

Performance of the local patch method for individual ligand types.

Descriptor type	Rank	AMP	ATP	FAD	FMN	GLC	HEM	NAD	PO4	STR	Average
Shape	AUC	0.72	0.74	0.80	0.57	0.72	0.92	0.69	0.83	0.85	0.76
	Top1	0.11	0.14	0.40	0.00	0.00	1.00	0.00	0.90	0.00	0.28
	Top3	0.67	0.93	0.90	0.00	0.40	1.00	0.60	1.00	0.80	0.70
Shape + size	AUC	0.85	0.76	0.83	0.68	0.88	0.91	0.74	0.88	0.85	0.82
	Top1	0.67	0.43	0.60	0.00	0.40	0.94	0.00	1.00	0.00	0.45
	Top3	1.00	0.93	0.90	0.50	0.80	1.00	0.80	1.00	0.80	0.86
Pocket Size a	Top1	0.22	0.07	0.50	0.00	0.00	0.00	0.27	1.00	0.00	0.23
	Top3	0.56	0.79	0.80	0.00	0.00	0.81	0.60	1.00	0.00	0.51
Random a	Top 1	0.10	0.13	0.10	0.06	0.05	0.15	0.14	0.19	0.06	0.11
	Top 3	0.28	0.40	0.31	0.21	0.17	0.45	0.42	0.55	0.19	0.33

^(a)Values are taken from Table 4A of our previous work [13].