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Calculation of the stability of β-cyclodextrin complexes of organic compounds using the QSPR approach

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Moscow University Chemistry Bulletin Aims and scope

Abstract

The QSPR model for predicting the Gibbs free energy of formation of complexes of different organic compounds with β-cyclodextrin has been constructed by the multiple linear regression method with the use of the double cross-validation procedure. The model has good predictive power.

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Authors and Affiliations

  1. Department of Organic Chemistry, Russia

    N. I. Zhokhova, E. V. Bobkov, I. I. Baskin, V. A. Palyulin, A. N. Zefirov & N. S. Zefirov

Authors
  1. N. I. Zhokhova
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  2. E. V. Bobkov
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  3. I. I. Baskin
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  4. V. A. Palyulin
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  5. A. N. Zefirov
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  6. N. S. Zefirov
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Corresponding author

Correspondence to N. I. Zhokhova.

Additional information

Original Russian Text © N.I. Zhokhova, E.V. Bobkov, I.I. Baskin, V.A. Palyulin, A.N. Zefirov, N.S. Zefirov, 2007, published in Vestnik Moskovskogo Universiteta. Khimiya, 2007, No. 5, pp. 329–332.

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Zhokhova, N.I., Bobkov, E.V., Baskin, I.I. et al. Calculation of the stability of β-cyclodextrin complexes of organic compounds using the QSPR approach. Moscow Univ. Chem. Bull. 62, 269–272 (2007). https://doi.org/10.3103/S0027131407050112

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  • DOI: https://doi.org/10.3103/S0027131407050112

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