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Molecular Descriptors in QSAR/QSPR by M. Karelson

Molecular Descriptors in QSAR/QSPR


Molecular Descriptors in QSAR/QSPR by M. Karelson

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.


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) ...suitable for scientists who are seeking an initial overview of the use of physicochemical and topological parameters in investigating structure-property relationships. (Angewandte Chemie-International Edition, Vol. 40, No. 6, 2001)

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Book Info

Publication date

21st March 2000


M. Karelson

More books by M. Karelson
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John Wiley & Sons Inc an imprint of John Wiley and Sons Ltd


Contains Hardback and Digital
448 pages


Maths for scientists



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