Table 5 Ranks and distance values for the case shown in Figure 5 where SIMCOMP outperforms both 3DZD and USR.
From: Application of 3D Zernike descriptors to shape-based ligand similarity searching
3DZD | USR-k | USR | |||||||
|---|---|---|---|---|---|---|---|---|---|
Correlation | Euclidean | Manhattan | Manhattan | Manhattan | |||||
Rank | Value | Rank | Value | Rank | Value | Rank | Value | Rank | Value |
1 | 0.9947 | 1 | 1.2152 | 1 | 0.8419 | 1 | 0.6752 | 1 | 0.6865 |
2 | 0.9918 | 2 | 1.2690 | 2 | 0.8376 | 2 | 0.6621 | 2 | 0.6732 |
3 | 0.9913 | 3 | 1.2969 | 3 | 0.8373 | 3 | 0.6620 | 3 | 0.6632 |
4 | 0.9825 | 196 | 1.9634 | 73 | 0.7844 | 227 | 0.5226 | 238 | 0.5281 |
5 | 0.9792 | 344 | 2.1038 | 245 | 0.7574 | 243 | 0.5208 | 397 | 0.5041 |