For the final application, we considered the HAT reactions found in RMechDB (Section S7 of the Supporting Information). In total, we were able to extract 268 reactions, falling within the scope of our surrogate model, from this database; HAT reactions between organic compounds and HO • and HOO • radicals, i.e., the onset of atmospheric oxidation. With our autodEbased workflow for reaction profile computation, we only managed to successfully compute profiles for 73 of these reactions (failure sources are detailed in Section S7).