Activity Coefficient at Infinite Dilution (ACI) Prediction on Isothermal Binary Mixtures at 298 K (test)
0.229Mean MAEHANNA
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| HANNATraining Data Source=Experimental, Evaluation Mode=Test data2025.09 | 0.229 | 0.141 | |
| GNN-IACEvaluation Mode=As published2025.09 | 0.372 | 0.15 | |
| SolvGNNTraining Data Source=Synthetic (COSMO-RS), Evaluation Mode=As published2025.09 | 0.432 | 0.293 | |
| GDI-GNNTraining Data Source=Synthetic (COSMO-RS), Evaluation Mode=As published2025.09 | 0.433 | 0.288 | |
| GE-GNNTraining Data Source=Synthetic (COSMO-RS), Evaluation Mode=As published2025.09 | 0.438 | 0.296 |