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Quantitative drug design [electronic resource] : a critical introduction / Yvonne Connolly Martin.

By: Martin, Yvonne Connolly, 1936-Material type: TextTextPublication details: Boca Raton : CRC Press/Taylor & Francis, c2010. Edition: 2nd edDescription: xv, 282 p. : illISBN: 9781420071009 (ebook : PDF)Subject(s): Drugs -- Structure-activity relationships | QSAR (Biochemistry) | Drugs -- DesignGenre/Form: Electronic books.Additional physical formats: No titleOnline resources: Click here to access online Also available in print edition.
Contents:
Overview of quantitative drug design -- Noncovalent interactions in biological systems -- Preparation of 3D structures of molecules for 3D QSAR -- Calculating physical properties of molecules -- Biological data -- Form of equations that relate potency and physical properties -- Statistical basis of regression and partial least-squares analysis -- Strategy for the statistical evaluation of a data set of related molecules -- Detailed examples of QSAR calculations on erythromycin esters -- Case studies -- Methods to approach other structure-activity problems.
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Includes bibliographical references and index.

Overview of quantitative drug design -- Noncovalent interactions in biological systems -- Preparation of 3D structures of molecules for 3D QSAR -- Calculating physical properties of molecules -- Biological data -- Form of equations that relate potency and physical properties -- Statistical basis of regression and partial least-squares analysis -- Strategy for the statistical evaluation of a data set of related molecules -- Detailed examples of QSAR calculations on erythromycin esters -- Case studies -- Methods to approach other structure-activity problems.

Also available in print edition.

Mode of access: World Wide Web.

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