In Silico Methods for Predicting Drug Toxicity

  • Emilio Benfenati

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

Table of contents

  1. Front Matter
    Pages i-xi
  2. Giuseppina Gini
    Pages 1-20
  3. Modeling a Pharmaceutical in the Human Body

    1. Front Matter
      Pages 21-21
    2. Stefano Moro, Mattia Sturlese, Antonella Ciancetta, Matteo Floris
      Pages 23-35
    3. Frederic Y. Bois, Céline Brochot
      Pages 37-62
    4. 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. Azadi Golbamaki, Emilio Benfenati
      Pages 107-119
    3. Marco Marzo, Alessandra Roncaglioni, Sunil Kulkarni, Tara S. Barton-Maclaren, Emilio Benfenati
      Pages 139-161
    4. Julien Burton, Andrew P. Worth, Ivanka Tsakovska, Antonia Diukendjieva
      Pages 177-200
    5. Mark Hewitt, Katarzyna Przybylak
      Pages 201-236
    6. Kunal Roy, Supratik Kar
      Pages 237-304
    7. Serena Manganelli, Emilio Benfenati
      Pages 305-322
  5. The Scientific and Society Challenges

    1. Front Matter
      Pages 323-323
    2. 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. Kamel Mansouri, Richard S. Judson
      Pages 361-381
    4. Glenn J. Myatt, Donald P. Quigley
      Pages 383-430
    5. Huixiao Hong, Minjun Chen, Hui Wen Ng, Weida Tong
      Pages 431-459
    6. Giuseppe Felice Mangiatordi, Angelo Carotti, Ettore Novellino, Orazio Nicolotti
      Pages 461-473
    7. Alessandro Brigo, Wolfgang Muster
      Pages 475-510
    8. Manuela Pavan, Simona Kovarich, Arianna Bassan, Lorenza Broccardo, Chihae Yang, Elena Fioravanzo
      Pages 511-529
  6. Back Matter
    Pages 531-534

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.


Pharmaceutical modeling In silico models Toxicological endpoints Receptor binding Pharmacokinetics Computational toxicology

Editors and affiliations

  • Emilio Benfenati
    • 1
  1. 1.Mario Negri Inst for Pharm RsrchIRCCSMilanItaly

Bibliographic information

  • DOI
  • Copyright Information Springer Science+Business Media New York 2016
  • Publisher Name Humana Press, New York, NY
  • eBook Packages Springer Protocols
  • Print ISBN 978-1-4939-3607-6
  • Online ISBN 978-1-4939-3609-0
  • Series Print ISSN 1064-3745
  • Series Online ISSN 1940-6029
  • Buy this book on publisher's site