Quantitative drug design : a critical introduction /
Yvonne Connolly Martin.
- 2nd ed.
- Boca Raton : CRC Press/Taylor & Francis, c2010.
- 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