Table 7. RF Prediction Performance Comparison with Different Descriptor Combinations.
feature sets | R2 | MAE | RMSE |
---|---|---|---|
Magpie | 0.732 ± 0.017 | 0.802 ± 0.021 | 1.559 ± 0.055 |
enhanced Magpie | 0.830 ± 0.025 | 0.512 ± 0.029 | 1.227 ± 0.114 |
element_atom_no_stat | 0.887 ± 0.007 | 0.675 ± 0.014 | 1.005 ± 0.039 |
element_atom_no_stat + Magpie | 0.968 ± 0.015 | 0.150 ± 0.007 | 0.529 ± 0.136 |
element_atom_no_stat + enhanced Magpie | 0.973 ± 0.007 | 0.144 ± 0.005 | 0.484 ± 0.076 |