A bootstrapping technique was used to address the fact that the creation of an individual decision tree model relies on the selection of random input features to be used as splits. Through this technique, 10,000 decision tree models were created for each radius and cutoff value and measured the frequency of each function group used by the models and counted the number of times a given test analyte was predicted to react with MOP. The frequencies of the functional groups were used to create the chemical reactivity flowcharts shown in Figures and.