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Molecular Descriptors in QSAR/QSPR

Molecular Descriptors in QSAR/QSPR

Mati Karelson

ISBN: 978-0-471-35168-9

Feb 2000

448 pages

Select type: Hardcover

In Stock



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.
Empirical Molecular Descriptors.

Theoretical Molecular Descriptors.

Methods for the Development of QSAR/QSPR.


""This text for academic and industrial chemists covers empirical and molecular descriptors, and methods for QSAR/QSPR development."" (SciTech Book News, Vol. 24, No. 4, December 2000)