000			01445cam a22002774a 4500
999			_c16273 _d16273
001			15810304
005			20200907113423.0
008			090709s2010 flua b 001 0 eng
020			_a9781420070996 (hardcover : alk. paper)
040			_cDLC
082	0	0	_a615.19 _222 _bM3791
100	1		_aMartin, Yvonne Connolly,
245	1	0	_aQuantitative drug design : _ba critical introduction _c/ Yvonne Connolly Martin.
250			_a2nd ed.
260			_aBoca Raton : _bCRC Press/Taylor & Francis, _c2010
300			_axv, 282 p. : _bill. ; _c25 cm.
650		0	_aDrugs _xStructure-activity relationships.
650		0	_aQSAR (Biochemistry)
650		0	_aDrugs _xDesign.
650	1	2	_aDrug Design.
650	2	2	_aBiopharmaceutics.
650	2	2	_aModels, Theoretical.
650	2	2	_aQuantitative Structure-Activity Relationship.
942			_cBK
505	0		_a1. 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.