TY - BOOK AU - Martin,Yvonne Connolly TI - Quantitative drug design: a critical introduction SN - 9781420070996 (hardcover : alk. paper) AV - RM301.42 .M37 2010 U1 - 615.19 22 PY - 2010/// CY - Boca Raton PB - CRC Press/Taylor & Francis KW - Drugs KW - Structure-activity relationships KW - QSAR (Biochemistry) KW - Design KW - Drug Design KW - Biopharmaceutics KW - Models, Theoretical KW - Quantitative Structure-Activity Relationship N1 - 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 ER -