High-throughput screening on PubChem AID 1798
28.2logAUCOverlapBPE
Evaluation results
| Method | Links | |
|---|---|---|
| OverlapBPEChirality=non-chiral2026.04 | 28.2 | |
| OverlapBPEChirality=chiral2026.04 | 21.7 | |
| DimeNet++2026.04 | 20.8 | |
| SphereNet2026.04 | 19.6 | |
| SchNet2026.04 | 19.5 | |
| MolKGNN2026.04 | 17.4 | |
| ChiRo2026.04 | 16.5 | |
| KerGNN2026.04 | 7.8 |