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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
  1. The top 3 structures retrieved are inactives with actives found much later shown in the fourth and the fifth rows.