Author | Martin, Yvonne Connolly, 1936- |
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Title | Quantitative drug design [electronic resource] : a critical introduction / Yvonne Connolly Martin |
Imprint | Boca Raton : CRC Press/Taylor & Francis, c2010 |
Edition | 2nd ed |
Connect to | http://marc.crcnetbase.com/isbn/9781420071009 |
Descript | xv, 282 p. : ill |
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