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

By: Martin, Yvonne Connolly, 1936-.
Material type: materialTypeLabelComputer filePublisher: Boca Raton : CRC Press/Taylor & Francis, c2010Edition: 2nd ed.Description: xv, 282 p. : ill.ISBN: 9781420071009 (e-book : PDF); 9781420070996.Call number: 615.19 M383 Subject(s): Drugs -- Structure-activity relationships | QSAR (Biochemistry) | Drugs -- DesignGenre/Form: Electronic books.Online resources: Distributed by publisher. Purchase or institutional license may be required for access.
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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English ebook

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.

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