Advances in quantitative structure-property relationships
著者
書誌事項
Advances in quantitative structure-property relationships
JAI Press, 1996-
- v. 1
- v. 2
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注記
Includes bibliographical references and index
内容説明・目次
- 巻冊次
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v. 2 ISBN 9780762300679
内容説明
Quantitative structure property relationships (QSPR) have become a major method of chemical research. In the course of this development the field has suffered from fragmentation. Applications of QSPR are found in all major chemical disciplines including physical organic, physical, medicinal, agricultural, biological, enviromental, and polymer chemistry. Frequently workers in one area are unaware of parameterizations and models used in other ares which they might well find useful. The is a common thread which runs through these widely diverse areas. The basic principles, parameterizations and methodology are the same or similar throughout.
The object of this series is to provide interesting and timely reviews covering all aspects of the field. It encourages the transfer of new methods, techniques, and parameterizations from the area in which they were developed to other areas that can make good use of them. In view of the widespread use of QSPR we believe that this is an important objective. This series will provide the cross-fertilization which is sorely needed.
目次
Preface. Exploring the energetics of binding in chromatography and related events. Structural effects on gas-phase reactivities. The prediction of melting point. The application of the intermolecular force model to peptide and protein QSAR.
- 巻冊次
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v. 1 ISBN 9781559385497
内容説明
This series is designed to provide reviews covering aspects of the field of quantitative structure-property relationships, with the aim of encouraging the transfer of new methods, techniques and parameterizations from the field in which they were developed to other areas that can make use of them.
目次
Introduction to the series: an editor's foreword (A. Padwa). Preface (M. Charton). Comparative molecular field analysis: CMFA (Y.C. Martin). Electronic structure calculations in quantitative structure-property relationship (R. Saunders, D.J. Linvingstone). Development and uses of scales of solvent nucleophilicity (D.N. Kevill). Structural-property relationships in drug design: model finding and verification strategies (H. Mager). The estimation of electrical effect substituent constants for correlation analysis (M. Charton). Index.
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