Browsing by Author "Ahmedi, R."

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    Estimating Octanol/water Partition Coefficient For Selected Ferrocene Derivatives Using Xlogpv2.0 Approach
    (University of Eloued جامعة الوادي, 2016-09-01) Ahmedi, R.; Lanez, T.
    Octanol/water partition coefficients P of several substituted ferrocene were calculated on the basis of the adaptation of the existing XlogPv2.0 approach. The predicted of calculated partition coefficients values of logP for selected ferrocene derivatives was compared with known experimental values taken from literature.The shown Results confirmed that the calculated partition coefficients were in good accord with experimental values. The average of absolute error is 0.12, and the obtained correlation coefficient value R^2for the linear dependencies between experimental and calculated partitions coefficients is 0.977.
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    Prediction Of Octanol/water Partition Coefficient Of Selected Ferrocene Derivatives Using Rekker Method
    (University of Eloued جامعة الوادي, 2011-07-01) Ahmedi, R.; Lanez, T.
    In this work we present a theoretical approach for the determination of octanol/water partition coefficient of selected ferrocenes bearing different substituents, the calculation is based on the adaptation of the Rekker method. Our prediction of obtained theoretical partition coefficients values of logP for all studied substituted ferrocene was confirmed by comparison with known experimental values obtained mainly from literature. The results obtained show that calculated partition coefficients are in good agreement with experimental values. For estimation of the octanol/water partition coefficients of the selected compounds, the average absolute error of log P is 0.13, and The correlation coefficient is R2 = 0.966.