Revised linear solvation energy relationship coefficients for the 77-phase McReynolds data set based on an updated set of solute descriptors

Autor:	Michael H. Abraham, David S. Ballantine, B.K. Callihan
Rok vydání:	2000
Předmět:	Data set Set (abstract data type) Chromatography Models Chemical Chemistry Phase (matter) Organic Chemistry Solvation Solvents General Medicine Biochemistry Analytical Chemistry
Zdroj:	Journal of chromatography. A. 878(1)
ISSN:	0021-9673
Popis:	Linear solvation energy relationship (LSER) coefficients for the 77-phase McReynolds data set have been recalculated using updated solute descriptors in the revised solvation equation: [equation: see text] These revised LSER coefficients are presented and classified by cluster analysis into groupings of stationary phases which have comparable solubility properties. It was found that the groupings were similar to those proposed by Abraham using the original solvation equation and that any dissimilarities were readily explainable by the grouping methods that were applied. Comparison of the original coefficients with the revised set also shows that several stationary phases which had a statistically insignificant b1 value with the original equation now have significant b1 values when utilizing the revised solvation equation.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f91ee1f4671b510cfb27e646c20a603a https://pubmed.ncbi.nlm.nih.gov/10843550 Zobrazit plný text záznamu Full Text from ScienceDirect