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

An introductory book that provides instruction on the basic tools of QSAR and incorporates practical examples relating to the pharmaceutical sciences

Kunal Roy (Author), Supratik Kar (Author), Rudra Narayan Das (Author)

9780128015056, Elsevier Science

Paperback, published 3 March 2015

484 pages
23.4 x 19 x 3 cm, 1.03 kg

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

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.

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

Subject Areas: Pharmacology [MMG]