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

  • ID: 3148949
  • Book
  • 484 Pages
  • Elsevier Science and Technology
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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

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Chapter 1:  Background of QSAR and Historical developments
Chapter 2:  Chemical information and Descriptors
Chapter 3:   Classical QSAR
Chapter 4:  Topological QSAR
Chapter 5:  Computational chemistry
Chapter 6:  Selected Statistical methods in QSAR
Chapter 7:  Validation of QSAR models
Chapter 8:  Introduction to 3D-QSAR
Chapter 9:  Newer QSAR techniques
Chapter 10:  Other related techniques
Chapter 11:  Future avenues
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Roy, Kunal
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 field of his research interest is QSAR and Molecular Modeling with application in Drug Design and Ecotoxicological Modeling. Dr. Roy has published more than 280 research articles in refereed journals (current SCOPUS h index 38). He has also coauthored two QSAR-related books, edited three QSAR books and published more than ten 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 (IJQSPR) (IGI Global). He also serves as a member of Editorial Boards of several International Journals.
Kar, Supratik
Das, Rudra Narayan
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