Protein-Ligand Binding Affinity Prediction on PDBbind 2016 (test)
0.851RMFE
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| MFEData Representation=Protein seq, 3D structure + ligand graph, Feature extraction=Multimodal between seq, structure + ligand graph2024.11 | 0.851 | 1.151 | 0.852 | |
| PLAPTData Representation=seq + smiles_canonical, Feature extraction=ProtBert + ChemBerta2024.11 | 0.845 | 1.196 | 0.906 | |
| CAPLAData Representation=protein seq, ligand smiles + binding pocket, Feature extraction=1D convolution block + Cross attention (pocket/ligand)2024.11 | 0.843 | 1.2 | 0.966 | |
| OnionNetData Representation=Protein-ligand 3D grid, Feature extraction=3D Conv + Neural Attention2024.11 | 0.816 | 1.278 | 0.984 | |
| DeepDTAFData Representation=Protein seq, ligand smiles + binding pocket, Feature extraction=1D Conv, 1D Conv + 3 Conv layers for binding pocket2024.11 | 0.789 | 1.355 | 1.073 |