Intermolecular distances were paired based on geometric symmetry, and the rankings of the descriptors within each pair, as well as all intermolecular heavy-atom pair distances, were summed. As the simulation progressed, the rankings of relevant pairs increased slightly, while the total ranking sum of these descriptors rose sharply to 0.6, highlighting their significance. This sum remained constant in later iterations due to the symmetric geometry of the reactant basin. However, the warm-start strategy ensured that these pairs consistently maintained the highest rankings among all descriptors. Notably, the significance of the pairs d 4 -d 6 and d 9 -d 15 converged, consistent with chemical intuition.