Protein-ligand binding affinity prediction on PDBbind core set (test)
1.316RMSESIGN
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| SIGNMethod category=Ours2021.07 | 1.316 | 1.027 | 1.312 | 0.797 | |
| OnionNetMethod category=CNN-based Methods2021.07 | 1.407 | 1.078 | 1.391 | 0.768 | |
| CMPNNMethod category=GNN-based Methods2021.07 | 1.408 | 1.117 | 1.399 | 0.765 | |
| DimeNetMethod category=GNN-based Methods2021.07 | 1.434 | 1.138 | 1.434 | 0.752 | |
| RF-ScoreMethod category=ML-based Methods2021.07 | 1.446 | 1.161 | 1.335 | 0.789 | |
| MATMethod category=GNN-based Methods2021.07 | 1.457 | 1.154 | 1.445 | 0.747 | |
| GNN-DTIMethod category=GNN-based Methods2021.07 | 1.492 | 1.192 | 1.471 | 0.736 | |
| DMPNNMethod category=GNN-based Methods2021.07 | 1.493 | 1.188 | 1.489 | 0.729 | |
| SVRMethod category=ML-based Methods2021.07 | 1.555 | 1.264 | 1.493 | 0.727 | |
| GAT-GCNMethod category=GraphDTA Methods2021.07 | 1.562 | 1.191 | 1.558 | 0.697 | |
| SGCNMethod category=GNN-based Methods2021.07 | 1.583 | 1.25 | 1.582 | 0.686 | |
| PafnucyMethod category=CNN-based Methods2021.07 | 1.585 | 1.284 | 1.563 | 0.695 | |
| GINMethod category=GraphDTA Methods2021.07 | 1.64 | 1.261 | 1.621 | 0.667 | |
| LRMethod category=ML-based Methods2021.07 | 1.675 | 1.358 | 1.612 | 0.671 | |
| GCNMethod category=GraphDTA Methods2021.07 | 1.735 | 1.343 | 1.719 | 0.613 | |
| GATMethod category=GraphDTA Methods2021.07 | 1.765 | 1.354 | 1.74 | 0.601 |