Methodological Approaches to the Calculation and Prediction of Retention Indices in Capillary Gas Chromatography

被引：20

作者：

Zhokhov, A. K. ^{[1
]}

Loskutov, A. Yu. ^{[1
]}

Rybal'chenko, I. V. ^{[2
]}

机构：

[1] Minist Def Russian Federat, Cent Res & Testing Inst 33, Volsk 412918 18, Saratov Oblast, Russia

[2] Minist Def Russian Federat, Sci Ctr 27, Moscow 105005, Russia

来源：

JOURNAL OF ANALYTICAL CHEMISTRY | 2018年 / 73卷 / 03期

关键词：

gas chromatography; retention indices; additive models; prediction; molecular descriptor; QSPR; structure-property relationship; SEMIEMPIRICAL TOPOLOGICAL METHOD; NORMAL BOILING POINTS; DIBENZO-P-DIOXINS; CHARAKTERISIERUNG ORGANISCHER VERBINDUNGEN; QUANTUM-CHEMICAL DESCRIPTORS; MULTIPLE LINEAR-REGRESSION; SUPPORT VECTOR MACHINES; QUANTITATIVE STRUCTURE; STATIONARY PHASES; DIFFERENT POLARITY;

D O I：

10.1134/S1061934818030127

中图分类号：

O65 [分析化学];

学科分类号：

070302 ; 081704 ;

摘要：

The scientific achievements in the field of calculation and prediction of gas chromatographic indices of retention of organic compounds on standard nonpolar polydimethylsiloxane stationary phases of capillary chromatographic columns are analyzed. Approaches based on the study of correlation dependences with the use of physicochemical, fragment, and quantum-chemical descriptors, topological indices, and various additive models are described.

引用

页码：207 / 220

页数：14

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