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

Table 6. Prediction Performance Comparison with Baselines.

algorithm R2 MAE RMSE
SVR with Magpie 0.560 ± 0.013 1.063 ± 0.021 1.969 ± 0.063
DNN with Magpie 0.691 ± 0.022 0.825 ± 0.030 1.678 ± 0.053
RF with Magpie 0.732 ± 0.017 0.802 ± 0.021 1.559 ± 0.055
SVR with enhanced Magpie 0.602 ± 0.016 1.023 ± 0.022 1.886 ± 0.065
DNN with enhanced Magpie 0.706 ± 0.015 0.739 ± 0.033 1.625 ± 0.047
RF with enhanced Magpie 0.830 ± 0.025 0.512 ± 0.029 1.227 ± 0.114
SVR with element_atom_no_stat + enhanced Magpie 0.951 ± 0.009 0.316 ± 0.005 0.656 ± 0.063
DNN with element_atom_no_stat + enhanced Magpie 0.960 ± 0.015 0.246 ± 0.029 0.592 ± 0.124
RF with element_atom_no_stat + enhanced Magpie 0.973 ± 0.007 0.144 ± 0.005 0.484 ± 0.076