To further test this hypothesis, we used the minimum homolytic bond dissociation free energies (BDFE) predicted by the ALFABET model as a surrogate for stability scores (Figs. ). the computational alkane data, we found that the minimum BDFE could predict the stability rank order in over 86% of the alkane pairs, indicating that BDFE is a reasonable first-order approximation for detailed kinetic modeling of alkanes. From the pairwise accuracy of using minimum BDFE as a stability score for the small molecule dataset (Fig. ), the performance improves slightly over the alkane model, achieving ∼ 85%. This improvement can be attributed to the larger molecule space that ALFABET is trained on, which includes CHON elements. However, the model accuracy still struggles to reach 90%, which highlights the need for more detailed kinetic data to achieve more precise predictions.