From: Comparison and improvement of the predictability and interpretability with ensemble learning models in QSPR applications
Training dataset
Test dataset
\(R^{2}\)
RMSE (nm)
\(R_{pred}^{2}\)
RF
0.966
22.25
0.904
34.42
ExtraTrees
0.991
11.15
0.908
33.71
AdaBoost
0.981
16.22
34.45
GBM
0.988
12.92
0.905
34.26