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 |