Table 10 Analysis of model prediction accuracies for a LogP estimation
From: Using Pareto points for model identification in predictive toxicology
nr chemicals | Mod.Name | Q2 | MAE | RMSE |
|---|---|---|---|---|
| Â | CLOGP | 0.83 | 0.38 | 0.74 |
1000 | MLOGP | 0.57 | 0.84 | 1.19 |
| Â | KOWWIN | 0.79 | 0.47 | 0.83 |
| Â | 3-APMI | 0.84 | 0.38 | 0.74 |
| Â | CLOGP | 0.76 | 0.41 | 0.78 |
2000 | MLOGP | 0.44 | 0.85 | 1.2 |
| Â | KOWWIN | 0.69 | 0.50 | 0.88 |
| Â | 3-APMI | 0.78 | 0.39 | 0.72 |
| Â | CLOGP | 0.37 | 1.21 | 1.54 |
2333 | MLOGP | 0.39 | 1.13 | 1.52 |
| Â | KOWWIN | 0.41 | 1.01 | 1.49 |
| Â | 3-APMI | 0.64 | 0.80 | 1.16 |