Table 4. Mean Absolute Errors (MAEs) of Atomization Enthalpies of 100 Molecules Drawn at Random from GDB-17^23a.

method	MAE, kcal/mol	range of errors, kcal/mol
OM2	10.94	–39.57 to 9.6
ML-OM2//OM2	21.58	–52.02 to 0.87
rOM2//OM2	145.39	–414.15 to 484.33

^aResults are given for OM2 with default parameters, rOM2//OM2 was reparametrized using 128 C₇H₁₀O₂ isomers, and the ML-OM2//OM2 model was trained on 5k C₇H₁₀O₂ isomers. MAEs are given in kcal/mol.