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  • © 2016

In Silico Methods for Predicting Drug Toxicity

  • Includes cutting-edge methods and protocols involving in silico techniques
  • Provides step-by-step detail essential for reproducible results
  • Contains key notes and implementation advice from the experts

Part of the book series: Methods in Molecular Biology (MIMB, volume 1425)

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Table of contents (21 protocols)

  1. Front Matter

    Pages i-xi
  2. QSAR Methods

    • Giuseppina Gini
    Pages 1-20
  3. Modeling a Pharmaceutical in the Human Body

    1. Front Matter

      Pages 21-21
    2. In Silico 3D Modeling of Binding Activities

      • Stefano Moro, Mattia Sturlese, Antonella Ciancetta, Matteo Floris
      Pages 23-35
    3. Modeling Pharmacokinetics

      • Frederic Y. Bois, Céline Brochot
      Pages 37-62
    4. Modeling ADMET

      • Jayeeta Ghosh, Michael S. Lawless, Marvin Waldman, Vijay Gombar, Robert Fraczkiewicz
      Pages 63-83
  4. The Applications of In Silico Models for the Different Endpoints

    1. Front Matter

      Pages 85-85
    2. In Silico Methods for Carcinogenicity Assessment

      • Azadi Golbamaki, Emilio Benfenati
      Pages 107-119
    3. In Silico Model for Developmental Toxicity: How to Use QSAR Models and Interpret Their Results

      • Marco Marzo, Alessandra Roncaglioni, Sunil Kulkarni, Tara S. Barton-Maclaren, Emilio Benfenati
      Pages 139-161
    4. In Silico Models for Acute Systemic Toxicity

      • Julien Burton, Andrew P. Worth, Ivanka Tsakovska, Antonia Diukendjieva
      Pages 177-200
    5. In Silico Models for Hepatotoxicity

      • Mark Hewitt, Katarzyna Przybylak
      Pages 201-236
    6. In Silico Models for Ecotoxicity of Pharmaceuticals

      • Kunal Roy, Supratik Kar
      Pages 237-304
    7. Use of Read-Across Tools

      • Serena Manganelli, Emilio Benfenati
      Pages 305-322
  5. The Scientific and Society Challenges

    1. Front Matter

      Pages 323-323
    2. A Systems Biology Approach for Identifying Hepatotoxicant Groups Based on Similarity in Mechanisms of Action and Chemical Structure

      • Dennie G. A. J. Hebels, Axel Rasche, Ralf Herwig, Gerard J. P. van Westen, Danyel G. J. Jennen, Jos C. S. Kleinjans
      Pages 339-359
    3. In Silico Study of In Vitro GPCR Assays by QSAR Modeling

      • Kamel Mansouri, Richard S. Judson
      Pages 361-381

About this book

This detailed volume explores in silico methods for pharmaceutical toxicity by combining the theoretical advanced research with the practical application of the tools. Beginning with a section covering sophisticated models addressing the binding to receptors, pharmacokinetics and adsorption, metabolism, distribution, and excretion, the book continues with chapters delving into models for specific toxicological and ecotoxicological endpoints, as well as broad views of the main initiatives and new perspectives which will very likely improve our way of modelling pharmaceuticals. Written for the highly successful Methods in Molecular Biology series, chapters include the kind of detailed implementation advice that is key for achieving successful research results.

Authoritative and practical, In Silico Methods for Predicting Drug Toxicity offers the advantage of incorporating data and knowledge from different fields, such as chemistry, biology, -omics, and pharmacology, to achieve goals in this vital area of research.

Editors and Affiliations

  • Mario Negri Inst for Pharm Rsrch, IRCCS, Milan, Italy

    Emilio Benfenati

Bibliographic Information

  • Book Title: In Silico Methods for Predicting Drug Toxicity

  • Editors: Emilio Benfenati

  • Series Title: Methods in Molecular Biology

  • DOI: https://doi.org/10.1007/978-1-4939-3609-0

  • Publisher: Humana New York, NY

  • eBook Packages: Springer Protocols

  • Copyright Information: Springer Science+Business Media New York 2016

  • Hardcover ISBN: 978-1-4939-3607-6Published: 17 June 2016

  • Softcover ISBN: 978-1-4939-8093-2Published: 30 May 2018

  • eBook ISBN: 978-1-4939-3609-0Published: 16 June 2016

  • Series ISSN: 1064-3745

  • Series E-ISSN: 1940-6029

  • Edition Number: 1

  • Number of Pages: XI, 534

  • Number of Illustrations: 37 b/w illustrations, 156 illustrations in colour

  • Topics: Pharmacology/Toxicology

Buy it now

Buying options

eBook USD 89.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book USD 119.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book USD 169.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Other ways to access