Table 2.

Prediction statistics for ${\mathit{E}}_{\mathrm{S}\mathrm{e}\mathrm{l}\mathrm{f}}$ and ${\mathit{E}}_{\mathrm{I}\mathrm{n}\mathrm{t}\mathrm{e}\mathrm{r}}$ of the atoms of the central water molecule of a water decamer, created using the Standard training set.

Property	Mean Value	Range	MAE	q 2
Oxygen $E_{Self}$	−196708.8	243.9	35.2 ± 1.3	0.00 ± 0.00
Oxygen $E_{Inter}$	−1540.6	407.7	50.2 ± 2.1	0.00 ± 0.00
Hydrogen $E_{Self}$	−736.1	121.6	18.1 ± 0.2	0.00 ± 0.00
Hydrogen $E_{Inter}$	−525.3	120.8	18.4 ± 0.5	0.00 ± 0.00

All energies are in kJ/mol, and uncertainties express ± 1 standard deviation. Averages obtained from five 1000‐training‐point models, tested on 4000 test points each.