Feature set: Ligands were featurized using ligand-based revised autocorrelations (RACs), which are connectivity-based representations that have been successfully applied to transition metal complex property predictions. Ligand-based RAC features are generated from molecular graphs of a ligand bound to the same dummy transition metal, where each atom is represented by a vertex and each bond is represented by an unweighted edge. Each RAC feature is the sum of products or the sum of differences of heuristic atom properties at depth d (i.e., the number of bonds separating two atoms) on a molecular graph. The ligand-based RACs in this work include features that both span the entire ligand bound to a transition metal, where every atom is used as a starting atom in RACs, as well as features that are centered around only coordinating atoms with a maximum depth d = 3. Overall, ligand-based RACs consist of 52 total features (Supporting Information Text S3).