Browsing by Author "Souyei, B."

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    Calculation Of Coefficient Of Sharing Octanol-water Of Organic Compounds Using Molecular Descriptors
    (University of Eloued جامعة الوادي, 2010-07-01) Souyei, B.
    A quantitative structure-property relationship (QSPR) study is carried out to develop correlations that relate the molecular structures of organic compounds to their Octanol- Water partition coefficients, Kow , using molecular descriptors. The correlations are simple in application with good accuracy, which provide an easy, direct and relatively accurate way to calculate Kow. Such calculation gives us a model that gives results in remarkable correlation with the descriptors of blocks fragments of the atom-centered and functional groups (R2 = 0.949, δ = 0477) (R2 = 0.926,δ = 0,548) respectively.
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    A Qspr Study Of Normal Boiling Point Of Organic Compounds (aliphatic Alkanes) Using Molecular Descriptors
    (University of Eloued جامعة الوادي, 2013-07-01) Souyei, B.; Korichi, M.
    A quantitative structure–property relationship (QSPR) study is carried out to develop correlations that relate the molecular structures of organic compounds (Aliphatic Alkanes) to their normal boiling point (NBP) and two correlations were proposed for constitutionals and connectivity indices Models. The correlations are simple in application with good accuracy, which provide an easy, direct and relatively accurate way to calculate NBP. Such calculation gives us a model that gives results in remarkable correlations with the descriptors of blokes constitutionals (CON), and connectivity indices (CI) (R2 = 0.950, δ = 0.766) (R2 = 0.969, δ = 0.782) respectively.