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. 2021 Apr 20;6(17):11585–11594. doi: 10.1021/acsomega.1c00781

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