Challenges and Advances in Computational Chemistry and Physics

Advances in QSAR Modeling

Applications in Pharmaceutical, Chemical, Food, Agricultural and Environmental Sciences

Editors: Roy, Kunal (Ed.)

  • An interdisciplinary overview of recent advances in methodology and all areas of QSAR applications Includes traditional and non-traditional applications of QSAR found in Food Science and NanoscienceOf interest to experimentalists as well as theoreticians

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eBook $319.00
price for USA (gross)
  • ISBN 978-3-319-56850-8
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $409.00
price for USA
  • ISBN 978-3-319-56849-2
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

The book covers theoretical background and methodology as well as all current applications of Quantitative Structure-Activity Relationships (QSAR). Written by an international group of recognized researchers, this edited volume discusses applications of QSAR in multiple disciplines such as chemistry, pharmacy, environmental and agricultural sciences addressing data gaps and modern regulatory requirements. Additionally, the applications of QSAR in food science and nanoscience have been included – two areas which have only recently been able to exploit this versatile tool. This timely addition to the series is aimed at graduate students, academics and industrial scientists interested in the latest advances and applications of QSAR.

About the authors

Prof. Dr. Kunal Roy is a Professor of the Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology Jadavpur University, Kolkata India. He was previously a Marie Curie International Incoming Fellow and Commonwealth Academic Staff Fellow at the University of Manchester, UK. Prof. Roy has published over 240 articles in peer reviewed journals, two books, one edited book as well as ten book chapters.

Table of contents (15 chapters)

  • Towards the Revival of Interpretable QSAR Models

    Shoombuatong, Watshara (et al.)

    Pages 3-55

  • The Use of Topological Indices in QSAR and QSPR Modeling

    Dearden, John C.

    Pages 57-88

  • Which Performance Parameters Are Best Suited to Assess the Predictive Ability of Models?

    Héberger, Károly (et al.)

    Pages 89-104

  • Structural, Physicochemical and Stereochemical Interpretation of QSAR Models Based on Simplex Representation of Molecular Structure

    Polishchuk, P. (et al.)

    Pages 107-147

  • The Maximum Common Substructure (MCS) Search as a New Tool for SAR and QSAR

    Golbamaki, Azadi (et al.)

    Pages 149-165

Buy this book

eBook $319.00
price for USA (gross)
  • ISBN 978-3-319-56850-8
  • Digitally watermarked, DRM-free
  • Included format: EPUB, PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $409.00
price for USA
  • ISBN 978-3-319-56849-2
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Advances in QSAR Modeling
Book Subtitle
Applications in Pharmaceutical, Chemical, Food, Agricultural and Environmental Sciences
Editors
  • Kunal Roy
Series Title
Challenges and Advances in Computational Chemistry and Physics
Series Volume
24
Copyright
2017
Publisher
Springer International Publishing
Copyright Holder
Springer International Publishing AG
eBook ISBN
978-3-319-56850-8
DOI
10.1007/978-3-319-56850-8
Hardcover ISBN
978-3-319-56849-2
Series ISSN
2542-4491
Edition Number
1
Number of Pages
X, 555
Number of Illustrations and Tables
61 b/w illustrations, 71 illustrations in colour
Topics