Three dimensional QSAR [electronic resource] : applications in pharmacology and toxicology / Jean Pierre Doucet, Annick Panaye.

By: Doucet, Jean-PierreContributor(s): Panaye, AnnickMaterial type: Text

TextSeries: QSAR in environmental and health sciencesPublication details: Boca Raton : CRC Press, 2010. Description: xxxiv, 533 p., [8] p. of col. plates : illISBN: 9781420091168 (ebook : PDF)Subject(s): QSAR (Biochemistry) | Pharmacology -- Research -- Methodology | Toxicology -- Research -- MethodologyGenre/Form: Electronic books.Additional physical formats: No titleOnline resources: Click here to access online Also available in print edition.

Contents:

pt. 1. Actual 3D models -- pt. 2. Around the 3D approaches -- pt. 3. Beyond 3D -- pt. 4. Receptor-related models.

Summary: "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.

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Includes bibliographical references (p. 467-520) and index.

"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.

pt. 1. Actual 3D models -- pt. 2. Around the 3D approaches -- pt. 3. Beyond 3D -- pt. 4. Receptor-related models.

Also available in print edition.

Mode of access: World Wide Web.

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