To support empirical observations from the collected HTE experimental data and further elucidate underlying chemical relationships governing the nickel-catalysed Suzuki reaction, we employed several analysis and visualisation methods. First, we generated box plots comparing the average experimental AP yield value of all ligands, solvents, bases, precatalysts, co-solvents, and temperature to the overall average AP yield of all reactions. These plots are included in Supplementary Information section 5. To gain deeper insights into feature importance, we trained a Random Forest surrogate model on the collected HTE data to approximate the AP yield function. We then applied SHAP analysis to obtain feature importances for features of each experimental parameter. SHAP uses cooperative game theory concepts to quantify the magnitude of each feature's contribution to the model's prediction, assigning each feature a SHAP value that represents its impact on model output.