Quantitative drug design : a critical introduction /
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| Author / Creator: | Martin, Yvonne Connolly, 1936- |
|---|---|
| Edition: | 2nd ed. |
| Imprint: | Boca Raton : CRC Press/Taylor & Francis, c2010. |
| Description: | xv, 282 p. : ill. ; 25 cm. |
| Language: | English |
| Subject: | |
| Format: | Print Book |
| URL for this record: | http://pi.lib.uchicago.edu/1001/cat/bib/8135222 |
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 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.
