Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility-Reference-Cited by-同舟云学术

Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility

Published:2016-06-24 Issue:22 Volume:37 Page:2045-2051
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Klimenko Kyrylo¹²,Kuz'min Victor¹,Ognichenko Liudmila¹,Gorb Leonid³,Shukla Manoj⁴,Vinas Natalia⁴,Perkins Edward⁴,Polishchuk Pavel⁵,Artemenko Anatoly¹,Leszczynski Jerzy⁶

Affiliation:

1. Department of Molecular Structure and Chemoinformatics; A.V. Bogatsky Physical-Chemical Institute National Academy of Sciences of Ukraine; Lustdorfskaya Doroga 86 Odessa 65080 Ukraine

2. Laboratoire de Chemoinformatique; (UMR 7140 CNRS/UniStra) Université de Strasbourg; 1, rue B. Pascal Strasbourg 67000 France

3. HX5 LLC; Vichsburg Mississippi 39180

4. US Army Engineer Research and Development Center; Vicksburg Mississippi 39180

5. Institute of Molecular and Translational Medicine; Palacky University Olomouc; Hnevotínská 1333/5 Olomouc 779 00 Czech Republic

6. Interdisciplinary Center for Nanotoxicity; Department of Chemistry; Jackson State University; Jackson Mississippi 39217

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference42 articles.

1. Solubility

2. COSMO-RS: a novel and efficient method for the a priori prediction of thermophysical data of liquids

3. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

4. Structure-toxicity relationships of nitroaromatic compounds

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