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. 2024 Feb 8;14:3226. doi: 10.1038/s41598-024-53341-4

Table 4.

The comparison of the our and Chachiyo models total energy errors for examined 56 molecules.

Total energy Chachiyo model Chachiyo model with correction Our model Our model with correction
ME (for 56 molecules) 16.9 1.0 15.5 0.0
MAE (for 56 molecules) 18.5 3.5 17.3 3.9
ME (for molecules made up from first and second row atoms) 0.4 0.4 0.5 0.4
MAE (for molecules made up from first and second row atoms) 3.2 3.2 3.6 3.4

The unit of every energy is kcal/mol.1.