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