From: A Nano-QSTR model to predict nano-cytotoxicity: an approach using human lung cells data
Model | Subset | R2 | R2ext | Q2LOO | Q2F1 | Q2F2 | RMSE | MAE | CCC |
---|---|---|---|---|---|---|---|---|---|
DT | Training | 0.953 | - | - | - | - | 6.147 | 3.840 | 0.976 |
Validation | 0.733 | - | 0.730 | - | - | 14.103 | 8.441 | 0.851 | |
Test | - | 0.765 | - | 0.765 | 0.765 | 13.264 | 7.139 | 0.868 | |
RF | Training | 0.965 | - | - | - | - | 5.299 | 2.963 | 0.981 |
Validation | 0.768 | - | 0.767 | - | - | 13.266 | 7.908 | 0.866 | |
Test | - | 0.790 | - | 0.789 | 0.789 | 12.573 | 6.879 | 0.881 | |
ET | Training | 0.953 | - | - | - | - | 6.158 | 3.912 | 0.975 |
Validation | 0.798 | - | 0.797 | - | - | 12.054 | 7.294 | 0.889 | |
Test | - | 0.788 | - | 0.788 | 0.788 | 12.580 | 6.603 | 0.883 |