Quantitative drug design
Subtitle: a critical introduction
By: Yvonne C. Martin.
Edition: 2nd ed.
Publisher: Taylor & Francis; CRC Press
Published: 2010
Place of publication: Boca Raton, FL
Language: eng
Number of pages: 292
ISBN-13: 9781420070996
Subjects: Drugs -- Structure-activity relationships; QSAR (Biochemistry); Drugs -- Design; Drug Design; Biopharmaceutics; Models, Theoretical; Quantitative Structure-Activity Relationship
Notes: Includes bibliographical references and index.
Table of contents: title: Overview of quantitative drug design; title: Noncovalent interactions in biological systems; title: Preparation of 3D structures of molecules for 3D QSAR; title: Calculating physical properties of molecules; title: Biological data; title: Form of equations relating potency and physical properties; title: Statistical basis of regression and partial least-squares analysis; title: Strategy for the statistical evaluation of a data set of related molecules; title: Detailed examples of QSAR calculations on erythromycin esters; title: Case studies; title: Methods to approach other structure-activity problems.