Quantitative drug design : a critical introduction
/ Yvonne Connolly Martin.
- 2nd ed.
- Boca Raton : CRC Press/Taylor & Francis, 2010
- xv, 282 p. : ill. ; 25 cm.
1. Overview of quantitative drug design 2. Noncovalent interactions in biological systems 3. Preparation of 3d structures of molecules for 3d qsar 4. Calculating physical properties of molecules 5. Biological data 6. Form of equations relating potency and physical properties 7. Statistical basis of regression and partial least-squares analysis 8. Strategy for the statistical evaluation of a data set of related molecules 9. Detailed examples of qsar calculations on erythromycin esters 10. Case studies 11. Methods to approach other structure-activity problems.