Cycles 5 to 7 focused on exploiting the best ligand found in cycle 4 (CgMe-PPh) (see Figure ). The change in feature importance and strategy of EDBO could also be observed in sharp contrast to the ligand SHAP values, which changed after cycle 4, as shown in Figure . In particular, the ligand from cycles 1-3 now seems to have a negative (blue) impact on the predicted yield, while the new ligand transferred from little (white) impact to high (pink) impact. The optimization campaign was stopped after cycle 7 once an experiment was found that achieved 100 % yield. As well as being interested in the highest performing experiment, chemists were also interested in exploring all reactions that are predicted to give a high yield (T3). To do this, the parallel coordinate feature of CIME4R and the PSE displaying the predicted yield after cycle 7 were utilized, as shown in Figure and Figure . In this case, it was found that yields of higher than 90% were predicted only to be achieved using CgMe-PPh as the ligand with either DMAc or BuCN as the solvent, with the required base being dependent upon the selected solvent. The numeric components were found to be less influential, and over 90% yield could be achieved with any of the given concentrations above 0.1 M and temperatures of 105 °C or above, suggesting a robust range of operating conditions. As well as the global optimum, it can also be useful to understand the local maxima that exist in the parameter space, as shown in Figure . Visualizing the predicted yield for all possible experiments highlighted three maxima that exist in the parameter space. This can be useful if the global maximum is not a desired condition for operational reasons such as work-up and isolation of the desired product. In the final case study, we tested to what extent CIME4R can facilitate the collaboration between humans and AI. Using the same dataset as in case study 2, the optimization was stopped after cycle 4, and we asked chemists to select the next batch of five experiments using the insights displayed in CIME4R from EDBO and their own chemical intuition and knowledge.