Aqueous solubility prediction on BigSolDB2
1.21Mean MAEMPNN+MLP
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| MPNN+MLPArchitecture=Message Passing Neural Network combined with a multilayer perceptron2026.07 | 1.21 | 0.19 | 1.21 | |
| GCN+MLPArchitecture=Graph Convolutional Network combined with a multilayer perceptron2026.07 | 1.24 | 0.12 | 1.27 | |
| GCNArchitecture=Baseline Graph Convolutional Network2026.07 | 1.29 | 0.05 | 1.28 | |
| GCN+MLP with interactionArchitecture=GCN+MLP with an interaction module2026.07 | 1.39 | 0.12 | 1.41 | |
| MPNN+MLP with interactionArchitecture=MPNN+MLP with an interaction module2026.07 | 1.39 | 0.21 | 1.38 |