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Retrieval accuracy with predicted pocket regions.
| Pocket model | AUC | Top1 (%) | Top3 (%) |
|---|---|---|---|
| Pseudo-Zernike | 0.52 | 13.6 | 38.9 |
| 3D Zernike | 0.53 | 16.8 | 41.0 |
Benchmarked on the Kahraman dataset. The pocket region in a query protein is extracted (predicted) by the LIGSITE program. The shape descriptor (G) is used. The average AUC, Top1, Top3 values across different ligands are shown.
