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Table 3 Summary of the performance of the methods in the DUD dataset.

From: Application of 3D Zernike descriptors to shape-based ligand similarity searching

 

EF 5%

BEDROC (α = 32.2)

AUCROC

3DZD (order 12, Correlation coeff.)

2.90

0.14

0.59

USR (order = 16, Correlation coeff.)

2.99

0.12

0.62

MACCS

4.22

0.23

0.52

Atom Count

1.37

0.07

0.34

  1. The average value of the methods are shown.