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Molecular topological index: An application in the QSAR study of toxicity of alcohols

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Abstract

An application of the molecular topological index, adapted for heterosystems, in the QSAR study of toxicity of alkyl alcohols on fathead minnows (Pimephates promelas) is examined. The obtained QSAR model is comparable to models based on the Wiener number and the connectivity index.

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Authors and Affiliations

  1. Chemistry Department, Agricultural Institute, 43260, Križevci, The Republic of Croatia

    Albin Jurić & Mirko Gagro

  2. The Rugjer Bošković Institute, P.O. Box 1016, 41001, Zagreb, The Republic of Croatia

    Sonja Nikolić & Nenad Trinajstić

Authors
  1. Albin Jurić
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  2. Mirko Gagro
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  3. Sonja Nikolić
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  4. Nenad Trinajstić
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Jurić, A., Gagro, M., Nikolić, S. et al. Molecular topological index: An application in the QSAR study of toxicity of alcohols. J Math Chem 11, 179–186 (1992). https://doi.org/10.1007/BF01164202

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  • DOI: https://doi.org/10.1007/BF01164202

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