Three dimensional QSAR
Subtitle: applications in pharmacology and toxicology
By: Jean Pierre Doucet, Annick Panaye
Contributors: Panaye, Annick, author
Series: QSAR in environmental and health sciences; QSAR in environmental and health sciences
Publisher: CRC Press
Published: 2010
Place of publication: Boca Raton
Language: eng
Number of pages: 533
ISBN-13: 9781420091151
Subjects: Pharmaceutical Preparations; Chemistry; QSAR (Biochemistry); Drugs; Molecular Models; Poisons; Drug Design; Molecular Conformation; Methodology; Toxicology; Research; Quantitative Structure-Activity Relationship
Description: "Experiencing rapid growth over the last 15 years, quantitative structure-activity relationships (QSAR) continue to evolve quickly with an explosion of new tools and techniques. These techniques now play an increasing role in drug design and chemical risk assessment. New molecular descriptors based on three-dimensional structures incorporate a range of classical approaches, including regression and PLS analysis, as well as new nonlinear approaches, such as neural networks and support vector machines. Three-Dimensional QSAR addresses the scope and limitations of different modeling techniques using case studies from pharmacology, toxicology, and ecotoxicology to demonstrate the utility of each technique"--Provided by publisher.
Notes: Includes bibliographical references and index.