Informing the Human Plasma Protein Binding of Environmental Chemicals by Machine Learning in the Pharmaceutical Space: Applicability Domain and Limits of Predictability. - Brandall L. Ingle; Brandon C. Veber; John W. Nichols; Rogelio Tornero-Velez (J. Chem. Inf. Model., 2016)

Developing a Physiologically-Based Pharmacokinetic Model Knowledgebase in Support of Provisional Model Construction. - Jingtao Lu; Michael-Rock Goldsmith; Christopher M. Grulke; Daniel T. Chang; Raina D. Brooks; Jeremy A. Leonard; Martin B. Phillips; Ethan D. Hypes; Matthew J. Fair; Rogelio Tornero-Velez; Jeffre Johnson; Curtis C. Dary; et al. (PLoS Comput. Biol., 2016)

Prediction of Fraction Unbound in Human Plasma for Per- and Polyfluoroalkyl Substances: Evaluating Transfer Learning as an Algorithmic Solution to the Problem of Sparse Data. - Gabriel Sinclair; Nathaniel Charest; Barbara A. Wetmore; Olivia Frazier; Hunter A. Fisher; Rogelio Tornero-Velez (J. Chem. Inf. Model., 2025)