Quantitative drug design : a critical introduction / Yvonne Connolly Martin.

By: Martin, Yvonne Connolly, 1936-Material type: TextTextLanguage: English Publication details: Boca Raton : CRC Press/Taylor & Francis, c2010Edition: 2nd edDescription: xv, 282 p. : ill. ; 25 cmContent type: ISBN: 9781420070996 (hardcover : alk. paper)Subject(s): Drugs -- Structure-activity relationships | QSAR (Biochemistry) | Drugs -- Design | Drug Design | Biopharmaceutics | Models, Theoretical | Quantitative Structure-Activity RelationshipDDC classification: 615.19 LOC classification: RM301.42 | .M37 2010
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

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