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Quantitative drug design : a critical introduction / Yvonne Connolly Martin

By: Material type: Computer fileComputer fileLanguage: English Publication details: Boca Raton : CRC Press/Taylor & Francis, 2010Edition: Second editionDescription: 1 online resource (xv, 282 pages)ISBN:
  • 9781420071009
Subject(s): DDC classification:
  • 615.190 M383
Online resources:
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
List(s) this item appears in: Biochemistry
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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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