The RF models with good performance were generally trained with ECFP4 followed by ECFP6. In contrast, models with poor performance, e.g., lowest precision and accuracy values, were trained with MACCS Keys and AtomPairs fingerprints. in the Supplementary Material) suggest that the predictions are consistent across different test subsets (see results in Table ). The training conditions of RF27 were selected to construct the ensemble model discussed in Section 3.4. in the Supplementary Material). Six of the twenty models trained from ECFP4 had a precision value equal to or higher than 0.95. The models with better precision were those trained with ECFP6. The minimum precision value was 0.76. These models have in common that they were trained with Atom Pairs employing a saga solver.