From: Can human experts predict solubility better than computers?
RMSE | R2 | ρ | NC | AAE | |
---|---|---|---|---|---|
MLP | 0.985 | 0.706 | 0.837 | 19 | 0.728 |
RF | 1.165 | 0.583 | 0.736 | 20 | 0.802 |
Bagging | 1.165 | 0.583 | 0.726 | 20 | 0.803 |
KNN | 1.204 | 0.540 | 0.704 | 15 | 0.917 |
ExtraTrees | 1.227 | 0.542 | 0.728 | 18 | 0.837 |
AdaBoost | 1.235 | 0.545 | 0.708 | 19 | 0.851 |
PLS | 1.265 | 0.507 | 0.670 | 15 | 0.980 |
SVM | 1.280 | 0.520 | 0.694 | 16 | 0.925 |
SGD | 1.429 | 0.577 | 0.752 | 11 | 1.185 |
Decision tree | 1.813 | 0.260 | 0.530 | 17 | 1.198 |
ML median | 1.140 | 0.601 | 0.762 | 18 | 0.778 |