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 at Jadavpur University in Kolkata, India. He has been a recipient of the Commonwealth Academic Staff Fellowship (University of Manchester, 2007) and Marie Curie International Fellowship (University of Manchester, 2013). His research interest are QSAR and Molecular Modeling with application in Drug Design and Ectoxicological Modeling. Dr. Roy has published more than 250 research papers in refereed journals. He has also co-authored QSAR related books entitled Understanding the Basics of QSAR for Applications in Pharmaceutical Sciences and Risk Assessment (Elsevier, 2015) and "A Primer on QSAR/QSPR Modeling: Fundamental Concepts” (Springer, 2015). Dr. Roy has edited Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment (IGI Global, 2015), Advances in QSAR modeling: Applications in Pharmaceutical, Chemical, Food, Agricultural and Environmental Sciences (Springer, 2017) and Computational Modeling of Drugs Against Alzheimer's Disease (Springer, 2018). Prof. Roy is the Editor-in-Chief of International Journal of Quantitative Structure-Property Relationships (IJQSPR )[IGI Global] and an Associate Editor of Molecular Diversity [Springer]. He is also a member of the Editorial Advisory Boards of (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], (5) Letters in Drug Design and Discovery [Bentham], (6) Current Computer-Aided Drug Design [Bentham]. Prof. Roy is also a recipient of several awards including Bioorganic and Medicinal Chemistry Most Cited Paper 2003-2006, 2004-2007 and 2006-2009 Awards from Elsevier, The Netherlands, Bioorganic and Medicinal Chemistry Letters Most Cited Paper 2006-2009 Award from Elsevier, The Netherlands.
Kar, Supratik
Das, Rudra Narayan
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