Structure–Retention Relationship Study of 2,4-dioxotetrahydro-1,3-thiazole Derivatives

Autor:	Lidija R. Jevrić, Milica Ž. Karadžić, Sanja O. Podunavac Kuzmanović, Eva S. Lončar, Strahinja Z. Kovačević
Rok vydání:	2015
Předmět:	Chromatography Mathematical model Clinical Biochemistry Pharmaceutical Science Experimental data Regression analysis Biochemistry Analytical Chemistry Hierarchical clustering chemistry.chemical_compound chemistry Principal component analysis Lipophilicity Linear regression Thiazole
Zdroj:	Journal of Liquid Chromatography & Related Technologies. 38:1247-1253
ISSN:	1520-572X 1082-6076
Popis:	In this paper correlations between molecular lipophilicity of a twelve 2,4-dioxotetrahydro-1,3-thiazole derivatives and their retention characteristics obtained by reversed-phase thin-layer chromatography are presented. The regression models were defined applying two chemometric approaches: linear regression and multiple linear regression. The studied thizole derivatives were described with molecular lipophilicity descriptors that were used for prediction of their retention characteristic RM. Statistically significant and physically meaningful structure–retention relationships were obtained and cross-validated. The predicted results are very well correlated with the experimental data. Very good predictive ability of the established mathematical models allows us to estimate the retention behavior of structurally similar compounds.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::3db981d8ac500a1e036365f057387d0c https://doi.org/10.1080/10826076.2015.1037453 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
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