As indicated above, the first application area focuses on HAT predictions related to chemical synthesis. More specifically, we started by considering a HAT dataset involving alkoxy radicals and hydrocarbons/heterosubstituted compounds. In previous work, an empirical model based on five computed parameters, respectively describing the electronegativities and delocalization of the reactants and products, as well as the thermodynamic driving force, was proposed. Applying this empirical model to the full dataset, an MAE 0.85 kcal/mol (R 2 =0.84) is obtained on the training set, and 1.24 kcal/mol (R 2 =0.72) on the test set.