Figure in the main text discusses the random forest feature importances and SHAP feature explanations for the (𝑃 ! , 𝑇 ! ) phase stability classifier. Here a similar analysis is presented for the other two difficult-to-formulate sub-systems in Figure . Additionally, SHAP can provide feature explanations for individual formulations, as shown for a particular sample from sub-system (𝑃 ! , 𝑇 ! ) in Figure . Here the base value of 0.30 indicates the probability of any random sample within that sub-system being stable. This agrees with the result presented in Table . For the particular sample presented, it has a 0.19 probability of stability, and we can observe which individual features contribute to this prediction.