| Document Type
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BL
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| Record Number
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1012318
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| Doc. No
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b766688
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| Main Entry
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Martin, Yvonne Connolly,1936-
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| Title & Author
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Quantitative drug design : : a critical introduction /\ Yvonne Connolly Martin.
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| Edition Statement
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2nd ed.
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| Publication Statement
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Boca Raton :: CRC Press/Taylor & Francis,, ©2010.
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| Page. NO
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xv, 282 pages :: illustrations ;; 25 cm
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| ISBN
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1420070991
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: 9781420070996
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| Bibliographies/Indexes
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Includes bibliographical references and index.
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| Contents
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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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| Abstract
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"Incorporating the novel developments that have occurred in this field since the publication of the first edition, Quantitative Drug Design: A Critical Introduction, Second Edition shows scientists how to apply quantitative structure-activity relationship (QSAR) techniques at a state-of-the-art level. It presents computational methods that analyze the relationships between molecular structure and biological activity, emphasizing techniques that provide a quantitative forecast of biological potency." "Based on the author's four decades of experience in all areas of ligand-based computer-assisted drug design, this invaluable book describes how to transform ligand structure-activity relationships into models that predict the potency or activity/inactivity of new molecules. It discusses the physical chemistry of ligand-macromolecule interactions and the computer programs that translate a molecule's potential to participate in these interactions into interpretable quantitative descriptors. The book also covers the fundamentals of multivariate statistics and validation procedures needed to support a valid structure-activity model."--BOOK JACKET.
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| Subject
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Drugs-- Design.
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| Subject
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Drugs-- Structure-activity relationships.
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| Subject
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QSAR (Biochemistry)
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| Subject
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Drugs-- Design.
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| Subject
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Drugs-- Structure-activity relationships.
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| Subject
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QSAR (Biochemistry)
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| Subject
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Drug Design.
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| Subject
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Biopharmaceutics.
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| Subject
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Models, Theoretical.
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| Subject
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Quantitative Structure-Activity Relationship.
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| Dewey Classification
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615/.19
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| LC Classification
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RM301.42.M37 2010
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| NLM classification
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2010 G-246
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QV 744M383q 2010
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