Predicting the Solvation of Organic Compounds in Aqueous Environments: From Alkanes and Alcohols to Pharmaceuticals

Hutacharoen, Panatpong; Dufal, Simon; Papaioannou, Vasileios; Shanker, Ravi M; Adjiman, Claire S.; Jackson, George J.; Galindo, Amparo

doi:10.1021/acs.iecr.7b00899

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Predicting the Solvation of Organic Compounds in Aqueous Environments: From Alkanes and Alcohols to Pharmaceuticals

Author(s): Panatpong Hutacharoen ¹ , Simon Dufal ¹ , Vasileios Papaioannou ¹ , Ravi M. Shanker ² , Claire S. Adjiman ¹ , George Jackson ¹ , Amparo Galindo ¹

Publication date (Electronic): September 14 2017

Journal: Industrial & Engineering Chemistry Research

Publisher: American Chemical Society (ACS)

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Most cited references 152

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The missing term in effective pair potentials

H. J. C. Berendsen, J. Grigera, T Straatsma (1987)

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A New Two-Constant Equation of State

Ding-Yu Peng, Donald B. Robinson (1976)

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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25.1

Christopher A. Lipinski, Franco Lombardo, Beryl Dominy … (2001)

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Panatpong Hutacharoen: (View ORCID Profile)

George Jackson: (View ORCID Profile)

Amparo Galindo: (View ORCID Profile)

Journal

Title: Industrial & Engineering Chemistry Research

Abbreviated Title: Ind. Eng. Chem. Res.

Publisher: American Chemical Society (ACS)

ISSN (Print): 0888-5885

ISSN (Electronic): 1520-5045

Publication date Created: September 27 2017

Publication date (Electronic): September 14 2017

Publication date (Print): September 27 2017

Volume: 56

Issue: 38

Pages: 10856-10876

Affiliations

[1 ]Department of Chemical Engineering, Centre for Process System Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ, United Kingdom

[2 ]Pfizer Research and Development, Groton Laboratories, Eastern Point Road, Groton, Connecticut 06340, United States

Article

DOI: 10.1021/acs.iecr.7b00899

SO-VID: cf667134-24b5-46b9-831f-0eb7a31774ff

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Predicting the Solvation of Organic Compounds in Aqueous Environments: From Alkanes and Alcohols to Pharmaceuticals

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Most cited references 152

The missing term in effective pair potentials

A New Two-Constant Equation of State

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25.1

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