High-throughput screening on PubChem AID 2258
38logAUC [0.001, 0.1]SphereNet
Evaluation results
| Method | Links | |
|---|---|---|
| SphereNet2026.04 | 38 | |
| DimeNet++2026.04 | 34 | |
| MolKGNN2026.04 | 30.1 | |
| OverlapBPEChirality=chiral2026.04 | 26.5 | |
| ChiRo2026.04 | 25.1 | |
| OverlapBPEChirality=non-chiral2026.04 | 24.6 | |
| SchNet2026.04 | 24 | |
| KerGNN2026.04 | 19.5 |