High-throughput screening on PubChem AID 2689
0.415logAUC [0.001, 0.1]MolKGNN
Evaluation results
| Method | Links | |
|---|---|---|
| MolKGNN2026.04 | 0.415 | |
| SphereNet2026.04 | 0.401 | |
| DimeNet++2026.04 | 0.367 | |
| ChiRo2026.04 | 0.351 | |
| OverlapBPEChirality=chiral2026.04 | 0.348 | |
| OverlapBPEChirality=non-chiral2026.04 | 0.343 | |
| SchNet2026.04 | 0.324 | |
| KerGNN2026.04 | 0.264 |