Because of the possibility of large errors, a safety factor has to be considered when using the activation energy estimations as a threshold to filter out potentially unimportant reactions before conducting computationally demanding high-level geometry optimizations. In this dataset for ĖF, the estimation of activation energies is constrained by a factor of 1.63 of the actual barrier height (in R17). A similar factor would need to be taken into account in the construction of a filter. When focusing on reactions with activation energies below 50 kcal mol -1 , e.g., the upper threshold would need to be 81.5 kcal mol -1 . In the dataset of this study, the application of a filter like this would result in the exclusion of 10 reactions, and 10 reactions with higher activation energies than the original target would remain included. It should be noted that these key parameters are not known prior; however, similar considerations can be made with regard to each system that is being explored and make use of CTY's activation energy estimation.