Martin, Yvonne Connolly, 1936-

Quantitative drug design : a critical introduction / Yvonne Connolly Martin. - 2nd ed. - Boca Raton, FL : CRC Press/Taylor & Francis, 2010. - xv, 282 p. : ill. ; 25 cm.

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.

9781420070996 (hardcover : alk. paper)


Drugs--Structure-activity relationships.
QSAR (Biochemistry)
Drugs--Design.
Drug Design.
Biopharmaceutics.
Models, Theoretical.
Quantitative Structure-Activity Relationship.

615.19 / M383