Calculation Of Coefficient Of Sharing Octanol-water Of Organic Compounds Using Molecular Descriptors

dc.contributor.author	Souyei, B.
dc.date.accessioned	2020-10-14T10:56:44Z
dc.date.available	2020-10-14T10:56:44Z
dc.date.issued	2010-07-01
dc.description	Articale in Journal of fundamental and Applied Sciences Vol. 02 N. 02	en_US
dc.description.abstract	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.	en_US
dc.identifier.citation	Articale in Journal of fundamental and Applied Sciences Vol. 02 N. 02	en_US
dc.identifier.issn	1112-9867
dc.identifier.uri	http://dspace.univ-eloued.dz/handle/123456789/7121
dc.language.iso	fr	en_US
dc.publisher	University of Eloued جامعة الوادي	en_US
dc.subject	QSPR, Model, Activity coefficient, Infinite dilution, aqueous solution, Molecular descriptors.	en_US
dc.title	Calculation Of Coefficient Of Sharing Octanol-water Of Organic Compounds Using Molecular Descriptors	en_US
dc.type	Article	en_US

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