The computation time of the SA-based algorithm varied, even for problems with similar N . One factor contributing to this variation is the difference in the number of maximum cliques to be enumerated, denoted by m. This is because the number of required sampling times in the SA-based enumeration algorithm is expected to be O(m ln m). In general, reactions with higher molecular symmetries are expected to involve a larger number of maximum cliques, resulting in longer computation times for the SA-based enumeration.