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Table 8 Comparison of enrichment factors of SDMs and CDA.

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

  Agonist Antagonist
  SDM CDA SDM CDA
1% 20.5 23.6 12.7 12.7
2% 17.9 19.3 21.6 21.6
3% 14.8 14.8 17.8 17.8
4% 13.9 12.7 15.3 15.3
5% 12.1 10.3 12.2 12.2
20% 3.8 3.1 3.2 3.2
Max 39.4 23.6 21.8 21.6
  1. Comparisons of the calculated EFs at different % of database screened and EFmax for the SDMs and CDA. For agonist screening, CDA performs better at the early stage (1-3%) compared to SDM. For antagonist screening, comparable results are obtained. The EFmax for the SDMs are better than the CDA, however, these peaks occur at a later stage of screening.