. Author manuscript; available in PMC: 2011 Jul 1.

Published in final edited form as: Proteins. 2010 Jul;78(9):2007–2028. doi: 10.1002/prot.22715

Table 4B.

Summary of the binding ligand prediction using 3D Zernike descriptors on Kahraman dataset.

Descriptor^a)	Rank	AMP	ATP	FAD	FMN	GLC	HEM	NAD	PO4	STR	Average^b)	Total^c)
pocket shape + pocket size (G)	Top1	0.0(%)	21.4	50.0	0.0	0.0	87.5	60.0	100.0	0.0	36.1	51
	Top3	77.8(%)	100.0	90.0	16.7	80.0	100.0	100.0	100.0	80.0	82.7	90
	Average distance	0.05	0.04	0.04	0.05	0.07	0.04	0.03	0.05	0.07	0.05	-
Elec. Potential + pocket size (E)	Top 1	11.1	21.4	60.0	0.0	20.0	6.2	33.3	95.0	0.0	28.2	36
	Top 3	44.4	85.7	80.0	16.7	40.0	68.8	66.7	100.0	0.0	55.8	68
	Avg. distance	4.07	2.86	2.7	5.08	5.71	3.17	2.18	4.69	6.06	4.06	-
Pocket shape+ size + electrostatic potential (G+E)	Top 1	0.0	21.4	50.0	0.0	0.0	87.5	60.0	100.0	0.0	36.1	51
	Top 3	66.7	100.0	90.0	16.7	80.0	100.0	100.0	100.0	80.0	81.5	89
	Avg. distance	0.05	0.04	0.04	0.05	0.07	0.04	0.03	0.05	0.07	0.05	-