Molecular descriptors in QSAR/QSPR

Author(s)

    • Karelson, Mati

Bibliographic Information

Molecular descriptors in QSAR/QSPR

by Mati Karelson

Wiley-Interscience, c2000

Available at  / 7 libraries

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Note

Includes bibliographical references and index

1 CD-ROM in pocket (12 cm)

Description and Table of Contents

Description

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.

Table of Contents

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

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