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QSAR Investigation of Acute Toxicity of Organic Acids and their Derivatives Upon Intraperitoneal Injection in Mice

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Pharmaceutical Chemistry Journal Aims and scope

The structure—acute-toxicity relationship of organic acids and their derivatives was studied. The effect of the structure of 88 organic compounds on the acute toxicity upon i.p. administration in mice was studied using 2D simplex representation of the molecular structure and partial least-squares methods. Satisfactory quantitative structure—activity relationship (QSAR) models were constructed and analyzed to reveal the structural fragments that enhance toxicity.

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Authors and Affiliations

  1. T. G. Shevchenko Transdniestria State University, 3300, Tiraspol, Republic of Moldova, Transdniestria, Ul. 25 Oktyabrya 107

    O. V. Tin’kov

  2. A. V. Bogatsky Physical-Chemical Institute, National Academy of Sciences of Ukraine, 65080, Odessa, Ukraine, Lyustdorfskaya Doroga, 86

    P. G. Polishchuk, A. G. Artemenko & V. E. Kuz’min

Authors
  1. O. V. Tin’kov
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  2. P. G. Polishchuk
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  3. A. G. Artemenko
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  4. V. E. Kuz’min
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Additional information

Translated from Khimiko-Farmatsevticheskii Zhurnal, Vol. 49, No. 2, pp. 34 – 40, February, 2015.

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Tin’kov, O.V., Polishchuk, P.G., Artemenko, A.G. et al. QSAR Investigation of Acute Toxicity of Organic Acids and their Derivatives Upon Intraperitoneal Injection in Mice. Pharm Chem J 49, 104–110 (2015). https://doi.org/10.1007/s11094-015-1231-y

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  • DOI: https://doi.org/10.1007/s11094-015-1231-y

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