Binding affinity regression on MISATO (random)
0.557R^2aa
Evaluation Results
| Method | Links | |||
|---|---|---|---|---|
| aaligand-aware head=MACCS-167, seeds=102026.05 | 0.557 | 0.75 | 1.886 | |
| Vote_3Diligand-aware head=MACCS-167, seeds=102026.05 | 0.504 | 0.712 | 1.979 | |
| ENSEMBITSP=full, ligand-aware head=MACCS-167, seeds=102026.05 | 0.5 | 0.711 | 1.996 | |
| ESM3structligand-aware head=MACCS-167, seeds=102026.05 | 0.496 | 0.706 | 2.011 | |
| ProTokenligand-aware head=MACCS-167, seeds=102026.05 | 0.484 | 0.697 | 2.062 | |
| 3Di_tokensligand-aware head=MACCS-167, seeds=102026.05 | 0.481 | 0.696 | 2.072 | |
| ENSEMBITSP=1, ligand-aware head=MACCS-167, seeds=102026.05 | 0.473 | 0.691 | 2.105 | |
| AminoAseedligand-aware head=MACCS-167, seeds=102026.05 | 0.47 | 0.701 | 2.115 | |
| ProtProfileMD_K8ligand-aware head=MACCS-167, seeds=102026.05 | 0.448 | 0.677 | 2.204 | |
| Randomligand-aware head=MACCS-167, seeds=102026.05 | 0.411 | 0.642 | 2.352 |