In the first application domain, we focused on HAT predictions related to chemical synthesis. We started by analyzing a dataset consisting of 238 computed reaction profiles for alkoxy radicals abstracting hydrogens from hydrocarbons and heterosubstituted compounds in an acetonitrile solution. Geometry optimizations and frequency calculations were performed at ωB97X-D/6-31G(d) level of theory , single-point energy refinements at UωB97X-D/6-311++G(d,p) level of theory, and solvation was taken into account through the SMD model. Since two of the radicals involved in this dataset contain Cl and F atoms -ele-ments that are not present in the training data of the surrogate model -we computed the descriptors for these species explicitly.