We analyzed several parameters, such as the maximum Tanimoto similarity of any molecule from the initial population to the target molecule, the molecule size, and the Bertz complexity. The results of this analysis are shown in Figure G.8. The performance of our algorithm directly depends on all of these factors. For instance, the distribution of Bertz complexities is skewed towards higher values when the correct molecule is not found. The same can be said about the size of the molecule, where a larger molecule size corresponds to a larger margin of error. The maximum Tanimoto similarity of the compounds in the initial population also plays a pivotal role in whether the right compound is found. The maximum initial Tanimoto similarities are skewed towards the range 0.8 -1.