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

ISBN-13: 9780128015056 / Angielski / Miękka / 2015 / 484 str.

Kunal Roy; Supratik Kar; Rudra Narayan

Opis

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

Recenzje

"... a handy reference for beginners in this field. Score: 62 - 2 Stars" --Doody's

Spis treści

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