The use of computers in numerical characterization of molecular structures has given chemists fundamentally new information on chemical structures, leading to major developments in physical, analytical and medicinal chemistry. This book, written by a pioneer in the field, extends and updates research on quantitative structure retention relationships (QSRR) by consolidating and critically reviewing the extensive literature on the subject while providing basic theoretical and practical information required in all investigations involving chromatography, analytical chemistry, biochemistry and pharmaceutical research. Coverage includes detailed discussions of the general theories and mechanisms of chromatographic separations, prediction of retention coefficients, statistical techniques and formal requirements of QSRR studies, specific applications of chromatographic data, and much more. Also provided are several carefully selected figures and tables plus extensive bibliographies.
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ISBN-13
978-0-471-85983-3 (9780471859833)
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Schweitzer Klassifikation
Introduction; Nature of Chromatographic Interactions; Molecular Interpretation of Distribution Processes in Chromatography; Determination of Chromatographic Retention Data for Quantitative Structure-Retention Relationship Studies; Methodology of Quantitative Structure-Retention Relationship Analysis; Additive Structural Parameters in Quantitative Structure-Retention Relationship Studies; Parameters Related to Specific Physicochemical Properties of Solutes; Topological Indices as Retention Descriptors; Multiparameter Structure-Chromatographic Retention Relationships; Application of Factor Analysis in QSRR Studies; Relationship Between Liquid Chromatographic Retention Data and Partition Coefficients; Chromatographic Retention Data in Studies of Quantitative Structure-Biological Activity Relationships; Index.