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Solvation Thermodynamics in Different Solvents: Water–Chloroform Partition Coefficients from Grid Inhomogeneous Solvation Theory

[Image: see text] Reliable information on partition coefficients plays a key role in drug development, as solubility decisively affects bioavailability. In a physicochemical context, the partition coefficient of a solute between two different solvents can be described as a function of solvation free...

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Detalhes bibliográficos
Publicado no:J Chem Inf Model
Main Authors: Kraml, Johannes, Hofer, Florian, Kamenik, Anna S., Waibl, Franz, Kahler, Ursula, Schauperl, Michael, Liedl, Klaus R.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2020
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7460078/
https://ncbi.nlm.nih.gov/pubmed/32639731
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c00289
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