High-throughput screening on PubChem AID 435008
25.5logAUCMolKGNN
Evaluation results
| Method | Links | |
|---|---|---|
| MolKGNN2026.04 | 25.5 | |
| OverlapBPEChirality=chiral2026.04 | 22.1 | |
| SphereNet2026.04 | 21.5 | |
| OverlapBPEChirality=non-chiral2026.04 | 21.1 | |
| DimeNet++2026.04 | 20.3 | |
| SchNet2026.04 | 18.7 | |
| ChiRo2026.04 | 16.8 | |
| KerGNN2026.04 | 14.7 |