As well as potential improvements to CIME4R itself, there is also unexplored potential for the datasets generated for analysis in CIME4R. For example, one area of interest may include time series data that arise from sampling a reaction at multiple time points. As well, aspects of a reaction's work-up, isolation, and crystallization have also not yet been explored in CIME4R. Regarding the understanding of the optimization algorithms used, other XAI features such as SHAP interaction values could be calculated for the dataset, as well as any parameters used for the optimization, for example, if the alpha parameter is varied in Bayesian optimization, this could be exported as well.