Solubilities Inferred from the Combination of Experiment and Simulation. Case Study of Quercetin in a Variety of Solvents-Reference-Cited by-同舟云学术

Solubilities Inferred from the Combination of Experiment and Simulation. Case Study of Quercetin in a Variety of Solvents

Published:2010-08-17 Issue:38 Volume:114 Page:12308-12313
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Chebil Latifa¹,Chipot Christophe¹,Archambault Fabien¹,Humeau Catherine¹,Engasser Jean Marc¹,Ghoul Mohamed¹,Dehez François¹

Affiliation:

1. Laboratoire d’ingénierie des biomolécules (LIBio), Nancy Université, 2 avenue de la forêt de Haye, 54500 Vandœuvre-lès-Nancy, France, Equipe de Dynamique des Assemblages Membranaires, UMR CNRS-UHP No. 7565, Nancy Université, BP 70239, 54506 Vandœuvre-lès-Nancy, France, and Theoretical and Computational Biophysics Group, Beckman Institute for Advanced Science and Engineering, University of Illinois at Urbana-Champaign, 405 North Mathews, Urbana, Illinois 61801

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp104569k

Reference35 articles.

1. Prediction of drug solubility from molecular structure using a drug-like training set

2. Automatic QSAR modeling of ADME properties: blood–brain barrier penetration and aqueous solubility

3. In Silico Prediction of Drug Solubility: 1. Free Energy of Hydration

4. In Silico Prediction of Drug Solubility: 2. Free Energy of Solvation in Pure Melts

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