Similarity models in organic chemistry, biochemistry, and related fields
著者
書誌事項
Similarity models in organic chemistry, biochemistry, and related fields
（Studies in organic chemistry, 42）
Elsevier, 1991
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注記
Includes bibliographical references and index
内容説明・目次
内容説明
Since Hammett devised the rho-sigma equation in 1937, the application of similarity models through linear free energy relationships (correlation analysis) has become increasingly important for systematising the quantitative data of organic chemistry and related fields. More than twelve years have elapsed since the last appearance of a multi-author, international monograph on this subject, during which time there have been substantial developments. Sophisticated chemometric techniques, such as principal component analysis, have been added to the basic statistical techniques of simple and multiple regression. The interaction with quantum mechanics, particularly in the form of ab initio molecular orbital calculations, has also developed considerably. Such matters are dealt with in the various chapters of this book, not only in connection with main-stream areas of substituent and solvent effects on reactivity and on spectroscopic properties, but also in connection with topics as diverse as gas chromatography, organic electrochemistry, biological activity, and food chemistry.
The book will be of interest to a wide range of organic, physical organic, and physical chemists; to medicinal chemists, environmental scientists, biochemists, and analytical chemists; and to chemometricians in general.
目次
1. Similarity models: statistical tools and problems in using them (T.M. Krygowski and K. Wozniak). 2. Substituent effect parameters and models applied in organic chemistry (J. Shorter). 3. The transmission of substituent effects in organic systems (M. Godfrey). 4. Properties of hydrogen as a substituent in planar organic pi-systems (G. Hafelinger). 5. Similarity models in IR and UV spectroscopy (C. Laurence). 6. Description of properties of binary solvent mixtures (H. Langhals). 7. Additivity rules and correlation methods in gas chromatography (J. Oszczapowicz). 8. Similarity models in organic electrochemistry (J.S. Jaworski and M.K. Kalinowski). 9. Principal component analysis as a tool in organic chemistry and food chemistry (R.I. Zalewski). 10. Quantitative structure-activity relationships (D.J. Livingstone). 11. The quantitative description of steric effects (M. Charton). Index.
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