On October 11, 2020, Poole, Colin F. published an article.Computed Properties of 93-04-9 The title of the article was Selection of calibration compounds for selectivity evaluation of wall-coated, open-tubular columns for gas chromatography by the solvation parameter model. And the article contained the following:
To facilitate faster selectivity evaluation of wall-coated, open-tubular columns using the solvation parameter model a reduced set of calibration compounds is identified and validated for the temperature ranges 60-140°C and 160-260°C. The Kennard-Stone uniform mapping algorithm is used to identify the calibration compounds from a larger database of compounds with known retention properties previously adopted for column selectivity evaluation. Thirty-five compounds for each temperature range are required to minimize the standard deviation of the system constants used for selectivity evaluation and to minimize differences between system constants determined by conventional calibration and the reduced calibration compounds The models for the reduced calibration compounds on ten siloxane-based and poly(ethylene glycol) stationary phases have a coefficient of determination of 0.984 to 0.998 and standard error of the estimate of 0.012 to 0.30. The predictive capability of models is evaluated for the reduced sets of calibration compounds using external test sets with ranking of the calibration models by changes in the average error, average absolute error and root mean square error of prediction for the test sets. For the selected thirty-five reduced calibration compounds the range for the average absolute error was 0.014 to 0.033 and 0.016 to 0.040 for the root mean square error of prediction for the independent test sets. The experimental process involved the reaction of 2-Methoxynaphthalene(cas: 93-04-9).Computed Properties of 93-04-9
The Article related to selection calibration compound selectivity evaluation wall coated, open tubular column gas chromatog solvation parameter model, calibration compounds, gas chromatography, open-tubular columns, selectivity, solvation parameter model, system constants, wall-coated and other aspects.Computed Properties of 93-04-9
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