A new approach to structure-retention relationships

• Autorzy: Dimov N. , Stoev S.
• Języki publikacji: EN

Abstrakty

EN

The accuracy of two approaches for calculation of structure-retention relationships - "classical" (the descriptors are calculated for the basic structure) and "optimum" (the descriptors are calculated for a rotamer) - is compared in this work. The statistically greater accuracy of the 'optimum' approach confirms the possibility of rotation around s-bonds for the eight hydroxybenzoic acid derivatives during their adsorption in a C18 reversed-phase chromatographic column. It is demonstrated that stati-stically greater accuracy in QSRR calculations can be achieved when this possibility is taken into account.

• Wydawca: University of Silesia in Katowice ; Akademiai Kiado
• Czasopismo: Acta Chromatographica
• Rocznik: 1999
• Tom: No. 9
• Strony: 55--65
• Opis fizyczny: Bibliogr. 12 poz., rys., tab.

Twórcy

autor

Dimov N.

autor

Stoev S.

• NIHFI, 1797 Sofia, Bulgaria