We also see that some of the functional-group specific reductions in the training set RMSE translate to the test set; indeed, most of the reduction in test set RMSE comes from improved treatment of ethers and esters, indicating that the parameter changes that led to these changes, such as significant reduction of ether 𝜖, are transferable. Plots of the test set RMSE for all functional group categories are available in the Supporting Information, Section 3.1.