Ecotoxicological QSARs

  • Kunal Roy

Part of the Methods in Pharmacology and Toxicology book series (MIPT)

Table of contents

  1. Front Matter
    Pages i-xxi
  2. Introduction

    1. Front Matter
      Pages 1-1
    2. Antonio Juan García-Fernández, Silvia Espín, Pilar Gómez-Ramírez, Emma Martínez-López, Isabel Navas
      Pages 77-94
  3. Methods and Protocols

    1. Front Matter
      Pages 95-95
    2. Pravin Ambure, M. Natália Dias Soeiro Cordeiro
      Pages 97-109
    3. Renata P. C. Barros, Natália F. Sousa, Luciana Scotti, Marcus T. Scotti
      Pages 151-175
    4. Riccardo Concu, M. Natália Dias Soeiro Cordeiro
      Pages 177-194
    5. Anna Rita Tondo, Michele Montaruli, Giuseppe Felice Mangiatordi, Orazio Nicolotti
      Pages 235-269
    6. Gulcin Tugcu, Serli Önlü, Ahmet Aydin, Melek Türker Saçan
      Pages 289-304
    7. Roberta Pedrazzani, Pietro Baroni, Donatella Feretti, Giovanna Mazzoleni, Nathalie Steimberg, Chiara Urani et al.
      Pages 305-327
  4. Case Studies and Literature Reports

    1. Front Matter
      Pages 329-329
    2. David J. Ebbrell, Mark T. D. Cronin, Claire M. Ellison, James W. Firman, Judith C. Madden
      Pages 331-356
    3. Kabiruddin Khan, Hans Sanderson, Kunal Roy
      Pages 357-386
    4. Sergi Gómez-Ganau, Marco Marzo, Rafael Gozalbes, Emilio Benfenati
      Pages 387-404
    5. Simona Funar-Timofei, Gheorghe Ilia
      Pages 405-436
    6. Pathan Mohsin Khan, Supratik Kar, Kunal Roy
      Pages 437-475
    7. Probir Kumar Ojha, Dipika Mandal, Kunal Roy
      Pages 477-511
    8. Alina Bora, Luminita Crisan, Ana Borota, Simona Funar-Timofei, Gheorghe Ilia
      Pages 513-544
    9. Chia Ming Chang, Chiung-Wen Chang, Fang-Wei Wu, Len Chang, Tien-Cheng Liu
      Pages 561-589
    10. Mabrouk Hamadache, Othmane Benkortbi, Abdeltif Amrane, Salah Hanini
      Pages 615-638
    11. Gourhari Jana, Ranita Pal, Shamik Sural, Pratim Kumar Chattaraj
      Pages 661-679
    12. Hans Sanderson, Kabiruddin Khan, Anna M. Brun Hansen, Kristin Connors, Monica W. Lam, Kunal Roy et al.
      Pages 681-705
  5. Tools, Databases, and Web Servers

    1. Front Matter
      Pages 707-707
    2. Shinjita Ghosh, Supratik Kar, Jerzy Leszczynski
      Pages 709-758
    3. Emilio Benfenati, Anna Lombardo
      Pages 759-787
    4. Dimitra-Danai Varsou, Andreas Tsoumanis, Antreas Afantitis, Georgia Melagraki
      Pages 789-800
  6. Back Matter
    Pages 821-830

About this book


This volume focuses on computational modeling of the ecotoxicity of chemicals and presents applications of quantitative structure–activity relationship models (QSARs) in the predictive toxicology field in a regulatory context. The extensive book covers a variety of protocols for descriptor computation, data curation, feature selection, learning algorithms, validation of models, applicability domain assessment, confidence estimation for predictions, and much more, as well as case studies and literature reviews on a number of hot topics. Written for the Methods in Pharmacology and Toxicology series, chapters include the kind of practical advice that is essential for researchers everywhere. 

Authoritative and comprehensive, Ecotoxicological QSARs is an ideal source to update readers in the field with current practices and introduce to them new developments and should therefore be very useful for researchers in academia, industries, and regulatory bodies.


Predictive toxicology Ecotoxicological risk assessment Pharmaceuticals Industrial chemicals Data curation Statistical modeling Quantitative structure-activity relationship

Editors and affiliations

  • Kunal Roy
    • 1
  1. 1.Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical TechnologyJadavpur UniversityKolkataIndia

Bibliographic information

  • DOI
  • Copyright Information Springer Science+Business Media, LLC, part of Springer Nature 2020
  • Publisher Name Humana, New York, NY
  • eBook Packages Springer Protocols
  • Print ISBN 978-1-0716-0149-5
  • Online ISBN 978-1-0716-0150-1
  • Series Print ISSN 1557-2153
  • Series Online ISSN 1940-6053
  • Buy this book on publisher's site
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