Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/Water

DOI Web Site 2 Citations

Caitlin C. Bannan

Department of Chemistry and ‡Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States
Gaetano Calabró

Department of Chemistry and ‡Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States
Daisy Y. Kyu

Department of Chemistry and ‡Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States
David L. Mobley

Department of Chemistry and ‡Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States

Journal

Journal of Chemical Theory and Computation

Journal of Chemical Theory and Computation 12 (8), 4015-4024, 2016-08-01

American Chemical Society (ACS)

Back to top