Prediction of gas chromatographic retention times and response factors using a general quantitative structure-property relationship treatment

A system of six-parameter equations that can predict response factors and retention times for a large and diverse set of organic compounds is described. Estimated standard deviations for the retention time and response factor are 4% and 15%, respectively.

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Bibliographic Details
Published inAnalytical chemistry (Washington) Vol. 66; no. 11; pp. 1799 - 1807
Main Authors KATRITZKY, A. R, IGNATCHENKO, E. S, BARCOCK, R. A, LOBANOV, V. S, KARELSON, M
Format Journal Article
LanguageEnglish
Published Washington, DC American Chemical Society 01.06.1994
Subjects
Analytical chemistry
Chemistry
Chromatographic methods and physical methods associated with chromatography
Exact sciences and technology
Gas chromatographic methods
Organic chemistry
Scientific imaging
Data table
Gas chromatography
Chromatographic properties
Property structure relationship
Retention time
Organic compounds
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Summary:A system of six-parameter equations that can predict response factors and retention times for a large and diverse set of organic compounds is described. Estimated standard deviations for the retention time and response factor are 4% and 15%, respectively.
ISSN:0003-2700
1520-6882
DOI:10.1021/ac00083a005