The quantitative relationships of the partition coefficients calculated in the series of n-r-amine functional derivatives

M. Yu. Golik, O. S. Kryskiv, A. M. Komissarenko, O. V. Kolisnyk, K. I. Dudka

Abstract


Using on-line services and the ChemBioOffice2014 software package the values of the partition coefficients of some N-R-amine derivatives have been calculated. To identify the quantitative relationships and select the optimal algorithm of calculations the correlation and regression analysis of the values obtained has been conducted. Statistically significant values of correlation for the partition coefficients calculated have been determined. It has been shown that it is advisable to use the value AlogPs for further application.

Keywords


partition coefficient; calculation methods; correlation; N-R-amine derivatives

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References


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DOI: https://doi.org/10.24959/88835

Abbreviated key title: Vìsn. farm.

ISSN 2415-8844 (Online), ISSN 1562-7241 (Print)