Application of Quantitative Structure-Retention Relationships (QSRR) to a Set of Organic Bromo and Nitrile Derivatives

Authors : Gustavo P ROMANELLI, Juan Carlos AUTINO

Pages : 335-344

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Publication Date : 0000-00-00

Article Type : Research Paper

Abstract :The retention times are studied for two sets of 1-bromo-2-aryiloxyetanes and 3- aryloxypropiononitriles derivatives by means of Quantitative Structure-Retention Relationships insert ignore into journalissuearticles values(QSRR});. Five quantum mechanical molecular descriptors are used to calculate the regression equations. The fitting polynomials are computed in several-variable at first, second, and third order equations. Results are only significant when resorting to several-variable formulae which seems to point out the rather complex physical chemistry nature of the property under study.
Keywords : QSRR Quantum mechanical molecular descriptors Retention Index Bromo and Nitrile Derivatives