Regression on Catechol Benchmark Mixed Solvent 1.0
0.0042MSEGNN
Evaluation results
| Method | Links | |
|---|---|---|
| GNNEvaluation protocol=Leave-One-Solvent-Out and Leave-One-Ramp-Out Cross-Validation, Architecture=Graph Attention + DRFP2025.12 | 0.0042 | |
| MLPEvaluation protocol=Leave-One-Solvent-Out and Leave-One-Ramp-Out Cross-Validation2025.12 | 0.0832 | |
| EnsembleEvaluation protocol=Leave-One-Solvent-Out and Leave-One-Ramp-Out Cross-Validation, Fusion Method=Inverse-Variance Weighted2025.12 | 0.0845 | |
| DeepModelEvaluation protocol=Leave-One-Solvent-Out and Leave-One-Ramp-Out Cross-Validation, Architecture=SwiGLU + Transformer2025.12 | 0.092 | |
| GBDTEvaluation protocol=Leave-One-Solvent-Out and Leave-One-Ramp-Out Cross-Validation, Descriptor=Multi-Output Descriptor2025.12 | 0.105 |