Molecular descriptors in QSAR/QSPR

著者

    • Karelson, Mati

書誌事項

Molecular descriptors in QSAR/QSPR

by Mati Karelson

Wiley-Interscience, c2000

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注記

Includes bibliographical references and index

1 CD-ROM in pocket (12 cm)

内容説明・目次

内容説明

Molecular descriptors are mathematical values that describe the structure or shape of molecules, helping predict the activity and properties of molecules in complex experiments. This book describes the equations known as QSAR (quantitative structure-activity relationships) and QSPR (quantitative structure-property relationships), showing how they can be used productively in a wide range of industries.

目次

Empirical Molecular Descriptors. Theoretical Molecular Descriptors. Methods for the Development of QSAR/QSPR. Appendix. Index.

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