Additional file 1 of Off-targetP ML: an open source machine learning framework for off-target panel safety assessment of small molecules

Additional file 1: Table S1.A Ranges of the molecular descriptors used for the applicability domain. Table S1.B List of CDK descriptors used for the PCA and UMAP. Supplementary paragraph on training steps for H2O and AutoGluon Tabular. Table S2. Neural networks performance metrics for the three target excluded from the analysis due to their poor performance.