Application of Quantitative Structure-Retention Relationships to Calculate Chromatographic Retention Times of O-Acetylphenyl Esters
Science Direct Working Paper No S1574-0331(04)70083-1
24 Pages Posted: 24 May 2017 Last revised: 2 Dec 2017
Date Written: October 2001
The Quantitative Structure-Retention Relationships theory is applied to compute retention times of some o-acetyl-phenyl esters. Molecular topological descriptors are used to calculate the fitting equations. Experimental data is satisfactorily described by the theoretical equations. Some further possible extensions of the present approach are analyzed for future developments.
Keywords: Quantitative structure-retention relationships, Retention times, o-Acetyl-phenyl esters, Topological descriptors
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