Overview
- Editors:
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Kunal Roy
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Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India
- Focuses on computational modeling of the ecotoxicity of chemicals
- Features practical advice for conducting QSAR research
- Presents methods, protocols, case studies, and more
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Table of contents (32 protocols)
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Case Studies and Literature Reports
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- Sergi Gómez-Ganau, Marco Marzo, Rafael Gozalbes, Emilio Benfenati
Pages 387-404
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- Simona Funar-Timofei, Gheorghe Ilia
Pages 405-436
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- Pathan Mohsin Khan, Supratik Kar, Kunal Roy
Pages 437-475
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- Probir Kumar Ojha, Dipika Mandal, Kunal Roy
Pages 477-511
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- Alina Bora, Luminita Crisan, Ana Borota, Simona Funar-Timofei, Gheorghe Ilia
Pages 513-544
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- Monika Nendza, Jan Ahlers, Dirk Schwartz
Pages 545-560
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- Chia Ming Chang, Chiung-Wen Chang, Fang-Wei Wu, Len Chang, Tien-Cheng Liu
Pages 561-589
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- Mabrouk Hamadache, Othmane Benkortbi, Abdeltif Amrane, Salah Hanini
Pages 615-638
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- Gourhari Jana, Ranita Pal, Shamik Sural, Pratim Kumar Chattaraj
Pages 661-679
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- Hans Sanderson, Kabiruddin Khan, Anna M. Brun Hansen, Kristin Connors, Monica W. Lam, Kunal Roy et al.
Pages 681-705
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Tools, Databases, and Web Servers
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Front Matter
Pages 707-707
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- Shinjita Ghosh, Supratik Kar, Jerzy Leszczynski
Pages 709-758
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- Emilio Benfenati, Anna Lombardo
Pages 759-787
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- Dimitra-Danai Varsou, Andreas Tsoumanis, Antreas Afantitis, Georgia Melagraki
Pages 789-800
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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.
Editors and Affiliations
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Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India
Kunal Roy
About the editor
Dr. Kunal Roy is a Professor in the Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India. He has been a recipient of Commonwealth Academic Staff Fellowship (University of Manchester, 2007) and Marie Curie International Incoming Fellowship (University of Manchester, 2013). The fields of his research interest are Quantitative Structure-Activity Relationship (QSAR) and Chemometric Modelingwith application in Drug Design and Ecotoxicological Modeling. Dr. Roy has published about 300 research articles in refereed journals (current SCOPUS h index 40; SCOPUS Author ID 56962764800). He has also coauthored two QSAR related books (Academic Press and Springer), edited five QSAR books (Springer, Academic Press and IGI Global) and published twelve book chapters. Dr. Roy is a Co-Editor-in-Chief of Molecular Diversity (Springer Nature) and Editor-in-Chief of International Journal of Quantitative Structure-Property Relationships (IGI Global). He also serves in different capacities in the Editorial Boards of several International Journals.