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The logP prediction results from MMFF94 force field parameters for external test set.
| GSG parameters | Performance results | ||||
|---|---|---|---|---|---|
| Max. wavelet scale | Scattering operators | Test set name | RMSE | r2 | MAE |
| 7 | (f,s) | FDA | 0.53 | 0.93 | 0.27 |
| 7 | (z,f,s) | Star | 0.44 | 0.93 | 0.29 |
| 5 | (z,f) | NonStar | 0.74 | 0.89 | 0.59 |
| 7 | (z,f) | Huuskonen | 0.35 | 0.94 | 0.18 |
| 5 | (Z,f,s) | SAMPL6 | 0.29 | 0.87 | 0.23 |
