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Langmuir : the ACS Journal of Surfaces and Colloids|April 25, 2015
β-Cyclodextrin at the Water/1-Bromobutane Interface: Molecular Insight into Reverse Phase Transfer CatalysisJackson Chief Elk, Ilan Benjamin
Journal of Cheminformatics|March 15, 2024
Advancing material property prediction: using physics-informed machine learning models for viscosityAlex K Chew, Matthew Sender, Zachary Kaplan, et al.
Journal of Chemical Information and Modeling|June 2, 2023
A Computational Physics-based Approach to Predict Unbound Brain-to-Plasma Partition Coefficient, Kp,uuMorgan Lawrenz, Mats Svensson, Mitsunori Kato, et al.
Journal of Chemical Information and Modeling|February 20, 2025
Predicting Resistance to Small Molecule Kinase InhibitorsAnu Nagarajan, Katherine Amberg-Johnson, Evan Paull, et al.
Journal of Chemical Theory and Computation|April 6, 2023
Epik: pKa and Protonation State Prediction through Machine LearningRyne C Johnston, Kun Yao, Zachary Kaplan, et al.
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