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Table S1. Selected compounds for this study, their names, SMILES strings, CAS numbers, observed log Pe values and predicted values by SVR A, SVR B, HSVR, and PLS, data partitions, and references; Table S2. Optimal runtime parameters for the SVR models; Figure S1. Histograms of: (A) observed log Pe; (B) molecular weight (MW); (C) log P; (D) log D; (E) polar surface area (PSA); (F) fractional polar surface area (FPSA); and (G) dipole moment (μ) in density form for all molecules in the training set, test set, and outlier set.

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