The Monte Carlo algorithm used in SMIRKY wasted computational time exploring SMIRKS space as a proxy for representing groups of fragments in training molecules. Testing typing of SMIRKS patterns is relatively fast; however, evaluating the accuracy of force field parameters requires much longer time lines. For example, evaluating new nonbonded parameters requires running molecular dynamics simulations to compare calculated and experimental physical properties such as densities of mixtures. . Clustering molecular fragments based on moves in SMIRKS space could be the same as arbitrarily grouping those fragments before checking if they should receive the same parameter. It is possible there will be more robust mechanisms for grouping molecular fragments more directly, perhaps directly from quantum mechanical data. When parameterizing a general force field we need to generalize that clustering for reuse on different molecules. The SMIRKS patterns provide a mechanism for storing parameter assignment to be reused on new molecules.