3 To benchmark the deviation of activation energy between actual reactions and corresponding model reactions, a larger testing set was used from a recent automated reaction exploration study performed with YARP. The YARP reaction dataset contains 420 organic reactions, comprising 359 b2f2 reactions and 61 b3f3 reactions. After excluding 163 reactions that directly match their corresponding model reactions, 199 and 19 model reactions were generated for 238 and 19 b2f2 and b3f3 reactions, respectively. This testing set represents a great diversity of reaction patterns and poses a significant challenge in providing accurate activation energy predictions using a fixed number of reaction families.