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Computational assessment of environmental hazards of nitroaromatic compounds: influence of the type and position of aromatic ring substituents on toxicity |
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| Authors: | Tinkov Oleg V. Ognichenko Luidmila N. Kuz’min Victor E. Gorb Leonid G. Kosinskaya Anna P. Muratov Nail N. Muratov Eugene N. Hill Frances C. Leszczynski Jerzy |
| Affiliation: | 1.Department of Chemistry, T.G. Shevchenko State University, 3300, Tiraspol, Moldova ;2.Department of Molecular Structures and Chemoinformatics, A.V. Bogatsky Physical–Chemical Institute NAS of Ukraine, Odessa, 65080, Ukraine ;3.HX5, LLC, Vicksburg, MS, 39180, USA ;4.Odessa National Medical University, 2, Valikhovskiy Lane, Odessa, 65026, Ukraine ;5.Chemical-Technological Department, Odessa National Polytechnic University, Odessa, 65000, Ukraine ;6.Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA ;7.US Army Research and Development Center, 3909 Halls Ferry Rd., Vicksburg, MS, 39180, USA ;8.Department of Civil and Environmental Engineering, Interdisciplinary Nanotoxicity Center, Jackson State University, Jackson, MS, 39217, USA ; |
| Abstract: | Structural Chemistry - This study summarizes the results of our recent QSAR and QSPR investigations on prediction of numerous aspects of environmental behavior of nitro compounds. In this study, we... |
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