Another essential outcome of the study is detecting the structural inconsistencies in the DFT-optimized data based on the predictions of ML models. As described in the Results section, we identified 39 reaction pairs with large differences between the DFT-calculated and the ML-predicted reaction energies. It turned out that 25 molecules from the identified pairs had noticeable structural distortions. This result showed that ML predictions can also be used for the validation of data produced by computational and experimental methods.