Our proposed algorithm demonstrates promising advantages, particularly in its ability to enumerate all possible mappings for a wide range of chemical reactions, as it does not rely on known reaction patterns. However, it is currently limited to chemical reaction formulae where the numbers of atoms of each element on the reactant and product sides are equal (commonly referred to as balanced reaction in chemoinformatics community). Furthermore, the enumeration algorithm still requires long computation times when the number of maximum cliques to be enumerated is large due to molecular symmetry. The future challenges are: first, improving the algorithm to analyze unbal-