Jackson Chief Elk

Epik: p <i>K</i> _a and Protonation State Prediction through Machine Learning

Ryne C. Johnston, Kun Yao, Zachary Kaplan et al. · Journal of Chemical Theory and Computation · 2023 · 318 citations

Pharmacy, Chemistry, Computer Science +17

Advancing material property prediction: using physics-informed machine learning models for viscosity

Alex K. Chew, Matthew Sender, Zachary Kaplan et al. · Journal of Cheminformatics · 2024 · 71 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

A Computational Physics-based Approach to Predict Unbound Brain-to-Plasma Partition Coefficient, K _p,uu

Morgan Lawrenz, Mats Svensson, Mitsunori Kato et al. · Journal of Chemical Information and Modeling · 2023 · 22 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

β-Cyclodextrin at the Water/1-Bromobutane Interface: Molecular Insight into Reverse Phase Transfer Catalysis

Jackson Chief Elk, Ilan Benjamin · Langmuir · 2015 · 17 citations

Natural Sciences, Biochemistry, Chemistry +17

Epik: pKa and Protonation State Prediction through Machine Learning

Ryne C. Johnston, Kun Yao, Zachary Kaplan et al. · ChemRxiv · 2023 · 10 citations · Full text

Pharmacy, Chemistry, Medicinal Chemistry +17