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

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 applicationsFollows the Organization for Economic Co-operation and Development principles for QSAR model developmentDiscusses related techniques such as structure-based design and the combination of structure- and ligand-based design tools

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