and Feed-Forward Neural Networks (FFNN) . These methods were implemented using the Scikit-learn Python library (v1.4.1) . Training instances were represented by feature vectors (fingerprints) and associated with class labels (active/inactive). Hyperparameters for each model were optimized using leaveone-out (LOO) cross-validation over a limited space. Only select hyperparameters for each algorithm were optimized to keep the search space small. The considered hyperparameters for each model are included in Table in the Supplementary Material, with default values assumed if not explicitly indicated.