Competitive molecular docking approach for predicting estrogen receptor subtype α agonists and antagonists

BMC Bioinformatics

Table 3 SDMs predictions of crystallographic ligand set

		Ligand type (truth)		Total (Predicted)
		Agonist	Antagonist
Ligand type (Predicted)	Not determinable (docks to both agonist and antagonist SDMs)	43	2	45
	Non-binder (docks neither agonist nor antagonist SDM)	0	0	0
	Agonist (docks agonist SDM only)	0	0	0
	Antagonist (docks antagonist SDM only)	4	17	21
Total (truth)		47	19

The table shows the predictions made by the SDMs for the crystallographic ligand set versus truth. The columns represent the truth (agonist and antagonist) while the rows represent the prediction outcomes (not determinable, non-binder, agonist and antagonist).

ISSN: 1471-2105