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. 2017 Oct 26;18(1):756–765. doi: 10.1080/14686996.2017.1378060

Table 3.

Cross-validated RMSE (eV/atom), cross-validated MAE (eV/atom), and Inline graphic for formation energy of LATX and atomization energy of QM7 dataset obtained using OFM and CM descriptors.

Dataset LATX QM7
Descriptor OFM CM [20] OFM CM [19]
RMSE 0.190 0.470 0.043 0.040
MAE 0.112 0.390 0.027 0.020
Inline graphic 0.98 0.87 0.98 0.99