Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/Water
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- Caitlin C. Bannan
- Department of Chemistry and ‡Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States
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- Gaetano Calabró
- Department of Chemistry and ‡Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States
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- Daisy Y. Kyu
- Department of Chemistry and ‡Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States
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- David L. Mobley
- Department of Chemistry and ‡Department of Pharmaceutical Sciences, University of California, Irvine, California 92697, United States
収録刊行物
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- Journal of Chemical Theory and Computation
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Journal of Chemical Theory and Computation 12 (8), 4015-4024, 2016-08-01
American Chemical Society (ACS)