SpringerBriefs in Molecular Science

A Primer on QSAR/QSPR Modeling

Fundamental Concepts

Authors: Roy, Kunal, Kar, Supratik, Das, Rudra Narayan

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  • A brief introduction for the quick understanding of QSAR/QSPR modeling concepts
  • No previous knowledge in the field is needed
  • Suitable illustrations are provided for quick understanding
  • At present, no introductory book in this subject is available
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eBook 44,02 €
price for Spain (gross)
  • ISBN 978-3-319-17281-1
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover 57,19 €
price for Spain (gross)
  • ISBN 978-3-319-17280-4
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
  • The final prices may differ from the prices shown due to specifics of VAT rules
About this book

This brief goes back to basics and describes the Quantitative structure-activity/property relationships (QSARs/QSPRs) that represent predictive models derived from the application of statistical tools correlating biological activity (including therapeutic and toxic) and properties of chemicals (drugs/toxicants/environmental pollutants) with descriptors representative of molecular structure and/or properties. It explains how the sub-discipline of Cheminformatics is used for many applications such as risk assessment, toxicity prediction, property prediction and regulatory decisions apart from drug discovery and lead optimization. The authors also present, in basic terms, how QSARs and related chemometric tools are extensively involved in medicinal chemistry, environmental chemistry and agricultural chemistry for ranking of potential compounds and prioritizing experiments. At present, there is no standard or introductory publication available that introduces this important topic to students of chemistry and pharmacy. With this in mind, the authors have carefully compiled this brief in order to provide a thorough and painless introduction to the fundamental concepts of QSAR/QSPR modelling. The brief is aimed at novice readers.

About the authors

Prof. Kunal Roy is an Associate Professor at the Drug Theoretics and Cheminformatics Laboratory at Jadavpur University in India and a Fellow at Manchester Institute of Biotechnology (MIB), University of Manchester in the United Kingdom.

Prof Roy is also an Associate Editor of Springer's Molecular Diversity Journal. His main research area of interest is QSAR and Molecular Modeling and his h-index is 31.

Table of contents (4 chapters)

Table of contents (4 chapters)

Buy this book

eBook 44,02 €
price for Spain (gross)
  • ISBN 978-3-319-17281-1
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Softcover 57,19 €
price for Spain (gross)
  • ISBN 978-3-319-17280-4
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
  • The final prices may differ from the prices shown due to specifics of VAT rules
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Bibliographic Information

Bibliographic Information
Book Title
A Primer on QSAR/QSPR Modeling
Book Subtitle
Fundamental Concepts
Authors
Series Title
SpringerBriefs in Molecular Science
Copyright
2015
Publisher
Springer International Publishing
Copyright Holder
The Author(s)
eBook ISBN
978-3-319-17281-1
DOI
10.1007/978-3-319-17281-1
Softcover ISBN
978-3-319-17280-4
Series ISSN
2191-5407
Edition Number
1
Number of Pages
X, 121
Number of Illustrations
47 b/w illustrations
Topics