Publications by authors named "William Acree"

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Exploring the Influence of Ionic Liquid Anion Structure on Gas-Ionic Liquid Partition Coefficients of Organic Solutes Using Machine Learning.
Karl Marti Toots, Sulev Sild, Jaan Leis, William E Acree, Uko Maran

Langmuir· November 2024

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Comments Regarding "Solubility determination and thermodynamic model analysis of L-α-glyceryl phosphorylcholine in different organic solvents of 278.15-323.15 K".
Audrey Chen, Jocelyn Chen, William E Acree

J Pharm Biomed Anal· September 2024

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A new set of solute descriptors to calculate solubility of drugs in mono-solvents.
Abolghasem Jouyban, Soma Khezri, Parisa Jafari, Aynaz Zarghampour, William E Acree

Ann Pharm Fr· November 2023

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Preferential Solvation Study of Rosuvastatin in the {PEG400 (1) + Water (2)} Cosolvent Mixture and GastroPlus Software-Based In Vivo Predictions.
Afzal Hussain, Obaid Afzal, Sabina Yasmin, Nazima Haider, Abdulmalik Saleh Alfawaz Altamimi, William E Acree

ACS Omega· April 2023

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Effect of -Methyl-pyrrolidone (NMP) on the Equilibrium Solubility of Meloxicam in Aqueous Media: Correlation, Dissolution Thermodynamics, and Preferential Solvation.
Darío A Tinjacá, Fleming Martínez, Ovidio A Almanza, Abolghasem Jouyban, William E Acree

ACS Omega· October 2022

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Machine Learning Quantitative Structure-Property Relationships as a Function of Ionic Liquid Cations for the Gas-Ionic Liquid Partition Coefficient of Hydrocarbons.
Karl Marti Toots, Sulev Sild, Jaan Leis, William E Acree, Uko Maran

Int J Mol Sci· July 2022

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Descriptors for some compounds with pharmacological activity; calculation of properties.
Xiangli Liu, William E Acree, Michael H Abraham

Int J Pharm· April 2022

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Drug Solubility Correlation Using the Jouyban-Acree Model: Effects of Concentration Units and Error Criteria.
Elaheh Rahimpour, Sima Alvani-Alamdari, William E Acree, Abolghasem Jouyban

Molecules· March 2022

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Preferential Solvation Study of the Synthesized Aldose Reductase Inhibitor (SE415) in the {PEG 400 (1) + Water (2)} Cosolvent Mixture and GastroPlus-Based Prediction.
Afzal Hussain, Mohammad A Altamimi, Obaid Afzal, Abdulmalik S A Altamimi, Abuzer Ali, William E Acree

ACS Omega· January 2022

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Revision and Extension of a Generally Applicable Group-Additivity Method for the Calculation of the Standard Heat of Combustion and Formation of Organic Molecules.
Rudolf Naef, William E Acree

Molecules· October 2021

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Evaluation of nine condensed-phase force fields of the GROMOS, CHARMM, OPLS, AMBER, and OpenFF families against experimental cross-solvation free energies.
Sadra Kashefolgheta, Shuzhe Wang, William E Acree, Philippe H Hünenberger

Phys Chem Chem Phys· June 2021

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Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and Their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K.
Rudolf Naef, William E Acree

Molecules· February 2021

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Reference Materials for Phase Equilibrium Studies. 1. Liquid-Liquid Equilibria (IUPAC Technical Report).
Ala Bazyleva, William E Acree, Robert D Chirico, Vladimir Diky, Glenn T Hefter

Pure Appl Chem· January 2021

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Evaluating Classical Force Fields against Experimental Cross-Solvation Free Energies.
Sadra Kashefolgheta, Marina P Oliveira, Salomé R Rieder, Bruno A C Horta, William E Acree

J Chem Theory Comput· December 2020

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Comments on "Classification of biphasic solvent systems according to Abraham descriptors for countercurrent chromatography".
William E Acree, Brittani Churchill, Michael H Abraham

J Chromatogr A· May 2020

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Critical Comments on "Assessment of the Thermodynamic Properties of DL-p-Mentha-1,8-diene, 4-Isopropyl-1-Methylcyclohexene (DL-Limonene) by Inverse Gas Chromatography (IGC)".
William E Acree

J Chromatogr Sci· April 2020

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PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking.
Sung Bo Hwang, Chang Joon Lee, Sehan Lee, Songling Ma, Young-Mook Kang, William E Acree

J Phys Chem B· February 2020

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Descriptors for terpene esters from chromatographic and partition measurements: Estimation of human odor detection thresholds.
Michael H Abraham, William E Acree, J Enrique Cometto-Muñiz

J Chromatogr A· January 2020

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Smart systems for determination of drug's solubility.
Vahid Jouyban-Gharamaleki, Abolghasem Jouyban, William E Acree, Elaheh Rahimpour

Drug Dev Ind Pharm· February 2019

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Solvation Descriptors for Zwitterionic α-Aminoacids; Estimation of Water-Solvent Partition Coefficients, Solubilities, and Hydrogen-Bond Acidity and Hydrogen-Bond Basicity.
Michael H Abraham, William E Acree

ACS Omega· February 2019

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Generalized molecular solvation in non-aqueous solutions by a single parameter implicit solvation scheme.
Christoph Hille, Stefan Ringe, Martin Deimel, Christian Kunkel, William E Acree

J Chem Phys· January 2019

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Solubility Prediction of Drugs in Binary Solvent Mixtures at Various Temperatures Using a Minimum Number of Experimental Data Points.
Sina Dadmand, Farzin Kamari, William E Acree, Abolghasem Jouyban

AAPS PharmSciTech· December 2018

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Descriptors for Cyclooctasulfur: Estimation of Water-Solvent Partition Coefficients, Solubilities in Solvents, and Physicochemical Properties.
Michael H Abraham, William E Acree

ACS Omega· May 2018

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Calculation of the Surface Tension of Ordinary Organic and Ionic Liquids by Means of a Generally Applicable Computer Algorithm Based on the Group-Additivity Method.
Rudolf Naef, William E Acree

Molecules· May 2018

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Incorporation of Hydrogen Bond Angle Dependency into the Generalized Solvation Free Energy Density Model.
Songling Ma, Sungbo Hwang, Sehan Lee, William E Acree, Kyoung Tai No

J Chem Inf Model· April 2018

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