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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.