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Статья
2020

Determination of the chain termination rate constants of the radical chain oxidation of organic compounds on antioxidant molecules by the QSPR method


Yu. Z. MartynovaYu. Z. Martynova, V. R. KhairullinaV. R. Khairullina, R. N. NasretdinovaR. N. Nasretdinova, G. G. GarifullinaG. G. Garifullina, D. S. MitsukovaD. S. Mitsukova, A. Ya. GerchikovA. Ya. Gerchikov, A. G. MustafinA. G. Mustafin
Российский химический вестник
https://doi.org/10.1007/s11172-020-2948-7
Abstract / Full Text

A quantitative analysis of the structure-antioxidant activity relationship was performed for 128 derivatives of phenols, amines, uracil, benzopyrane, and benzofuran using the GUSAR 2013 program. Nine statistically significant QSAR consensus models characterized by a high accuracy of prediction of the chain termination rate constant of oxidation on the antioxidant molecules were constructed. The results of the structural analysis performed in the GUSAR 2013 program are in good agreement with the literature data.

Author information
  • Bashkir State University, 32 ul. Z. Validi, 450076, Ufa, Republic of Bashkortostan, Russian FederationYu. Z. Martynova, V. R. Khairullina, R. N. Nasretdinova, G. G. Garifullina, D. S. Mitsukova, A. Ya. Gerchikov & A. G. Mustafin
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