High-throughput screening on PubChem AID 485290
49.8logAUC [0.001, 0.1]MolKGNN
Evaluation results
| Method | Links | |
|---|---|---|
| MolKGNN2026.04 | 49.8 | |
| OverlapBPEChirality=chiral2026.04 | 47.4 | |
| DimeNet++2026.04 | 46.3 | |
| SphereNet2026.04 | 45 | |
| OverlapBPEChirality=non-chiral2026.04 | 34.1 | |
| SchNet2026.04 | 33.3 | |
| ChiRo2026.04 | 29.5 | |
| KerGNN2026.04 | 22.3 |