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Quantitative drug design: a critical introduction
2010, Taylor & Francis
in English
- 2nd ed.
1420070991 9781420070996
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Book Details
Table of 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 relating 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.
Edition Notes
Includes bibliographical references and index.
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