Challenges and Advances in Computational Chemistry and Physics

Recent Advances in QSAR Studies

Methods and Applications

Editors: Puzyn, Tomasz, Leszczynski, Jerzy, Cronin, Mark T. (Eds.)

  • An interdisciplinary overview on recent advances in Quantitative Structure–Activity Relationships (QSAR) studies
  • Presents both a review of new ideas about methodology and new areas of QSAR applications
  • A simply written, practical guide for academics, industrial scientists and decision makers taking their first steps in QSAR analysis
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eBook $369.00
price for USA (gross)
  • ISBN 978-1-4020-9783-6
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $469.00
price for USA
  • ISBN 978-1-4020-9782-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $469.00
price for USA
  • ISBN 978-94-007-3091-5
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
About this book

Recent Advances in QSAR Studies: Methods and Applications presents an interdisciplinary overview on the most recent advances in QSAR studies. The first part of this volume is handbook-esque and consists of a comprehensive review of QSAR methodology written by outstanding scientists and highly experienced lecturers. It focuses on methodology and new ideas, providing readers with an idea of recent trends and developments in each part of QSAR strategy (descriptors, methods of modelling, validation). The second part of this volume highlights the interdisciplinary aspects and new areas of QSAR modelling. It outlines the theoretical framework together with practical applications. The most optimal solutions (descriptors, mathematical/statistical methods, validation) in the individual areas of interest (environmental risk assessment, drug design, etc.) are also discussed in more detail.

Recent Advances in QSAR Studies: Methods and Applications is targeted at scientists who are focussed on developing new methodologies as well as researchers who are engaged in trying to solve specific problems via QSAR. Additionally, this volume should serve as an essential reference to promote interactions between members of the academic community and industry.

Table of contents (14 chapters)

  • Quantitative Structure–Activity Relationships (QSARs) – Applications and Methodology

    Cronin, Mark T. D.

    Pages 3-11

  • The Use of Quantum Mechanics Derived Descriptors in Computational Toxicology

    Enoch, Steven J

    Pages 13-28

  • Molecular Descriptors

    Consonni, Viviana (et al.)

    Pages 29-102

  • 3D-QSAR – Applications, Recent Advances, and Limitations

    Sippl, Wolfgang

    Pages 103-125

  • Virtual Screening and Molecular Design Based on Hierarchical Qsar Technology

    Kuz’min, Victor E. (et al.)

    Pages 127-176

Buy this book

eBook $369.00
price for USA (gross)
  • ISBN 978-1-4020-9783-6
  • Digitally watermarked, DRM-free
  • Included format: PDF, EPUB
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $469.00
price for USA
  • ISBN 978-1-4020-9782-9
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $469.00
price for USA
  • ISBN 978-94-007-3091-5
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
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Bibliographic Information

Bibliographic Information
Book Title
Recent Advances in QSAR Studies
Book Subtitle
Methods and Applications
Editors
  • Tomasz Puzyn
  • Jerzy Leszczynski
  • Mark T. Cronin
Series Title
Challenges and Advances in Computational Chemistry and Physics
Series Volume
8
Copyright
2010
Publisher
Springer Netherlands
Copyright Holder
Springer Science+Business Media B.V.
eBook ISBN
978-1-4020-9783-6
DOI
10.1007/978-1-4020-9783-6
Hardcover ISBN
978-1-4020-9782-9
Softcover ISBN
978-94-007-3091-5
Series ISSN
2542-4491
Edition Number
1
Number of Pages
XIII, 414
Number of Illustrations and Tables
55 b/w illustrations, 20 illustrations in colour
Topics