Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment

Häftad, Engelska, 2015

AvKunal Roy,Supratik Kar,Rudra Narayan Das

1 289 kr

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Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment describes the historical evolution of quantitative structure-activity relationship (QSAR) approaches and their fundamental principles. This book includes clear, introductory coverage of the statistical methods applied in QSAR and new QSAR techniques, such as HQSAR and G-QSAR. Containing real-world examples that illustrate important methodologies, this book identifies QSAR as a valuable tool for many different applications, including drug discovery, predictive toxicology and risk assessment. Written in a straightforward and engaging manner, this is the ideal resource for all those looking for general and practical knowledge of QSAR methods.

Includes numerous practical examples related to QSAR methods and applications
Follows the Organization for Economic Co-operation and Development principles for QSAR model development
Discusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools

Produktinformation

Utgivningsdatum2015-03-03
Mått191 x 235 x 32 mm
Vikt1 030 g
FormatHäftad
SpråkEngelska
Antal sidor484
FörlagElsevier Science
ISBN9780128015056

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Farmakologi inom Medicin

Dr. Kunal Roy is Professor & Ex-Head in the Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India (https://sites.google.com/site/kunalroyindia). He has been a recipient of Commonwealth Academic Staff Fellowship (University of Manchester, 2007) and Marie Curie International Incoming Fellowship (University of Manchester, 2013) and a former visiting scientist of Istituto di Ricerche Farmacologiche "Mario Negri" IRCCS, Milano. Italy. The field of his research interest is Quantitative Structure-Activity Relationship (QSAR) and Molecular Modeling with application in Drug Design, Property Modeling and Predictive Ecotoxicology. Dr. Roy has published more than 450 research articles (ORCID: http://orcid.org/0000-0003-4486-8074) in refereed journals (current SCOPUS h index 57; total citations to date more than 17500). He has also coauthored three QSAR-related books (Academic Press and Springer), edited thirteen QSAR books (Springer, Academic Press, and IGI Global), and published twenty five book chapters. Dr. Roy is the Co-Editor-in-Chief of Molecular Diversity (Springer Nature) and an Associate Editor of Computational and Structural Biotechnology Journal (Elsevier). Dr. Roy serves on the Editorial Boards of several International Journals including (1) European Journal of Medicinal Chemistry (Elsevier); (2) Journal of Molecular Graphics and Modelling (Elsevier); (3) Chemical Biology and Drug Design (Wiley); (4) Expert Opinion on Drug Discovery (Informa). Apart from this, Prof. Roy is a regular reviewer for QSAR papers in different journals. Prof. Roy has been a participant in the EU funded projects nanoBRIDGES and IONTOX apart from several national Government funded projects (UGC, AICTE, CSIR, ICMR, DBT, DAE). Prof. Roy has recently been placed in the list of the World's Top 2% science-wide author database (whole career data) (World rank 52 in the subfield of Medicinal & Biomolecular Chemistry) (Ioannidis, John P.A. (2025), "August 2025 data-update for "Updated science-wide author databases of standardized citation indicators", Elsevier Data Repository, V8, link: http://doi.org/10.17632/btchxktzyw.8).

Chapter 1: Background of QSAR and Historical developmentsChapter 2: Chemical information and DescriptorsChapter 3: Classical QSARChapter 4: Topological QSARChapter 5: Computational chemistryChapter 6: Selected Statistical methods in QSARChapter 7: Validation of QSAR modelsChapter 8: Introduction to 3D-QSARChapter 9: Newer QSAR techniquesChapter 10: Other related techniquesChapter 11: Future avenues