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Table 4 CDA predictions of crystallographic ligand set

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

   Ligand type (truth) Total (Predicted)
   Agonist Antagonist  
Ligand type (Predicted) Not determinable (docks to both agonist and antagonist SDMs) - - -
  Non-binder (docks neither agonist nor antagonist SDM) 0 0 0
  Agonist (docks agonist SDM only OR dock score for agonist SDM < antagonist SDM) 35 1 36
  Antagonist (docks antagonist SDM only OR dock score for antagonist SDM < agonist SDM) 12 18 30
Total (truth) 47 19  
  1. The table shows the predictions made by the CDA for the crystallographic ligand set versus truth. The columns represent the truth (agonist and antagonist) while the rows represent the prediction outcomes (non-binder, agonist and antagonist).