SAR vs QSAR or “is QSAR different from SAR”SAR与构效关系或是定量构效关系不同于特区”.pptVIP

SAR vs QSAR or “is QSAR different from SAR” SAR vs. QSARhow could we say there is no difference ? SAR vs. QSARRoadmap Similarity : philosophers’ view Structural similarity Does not imply always similarity in activity Martin et al. 2002 J.Med.Chem 45,4350-58 Does not always imply similarity in descriptors Kubinyi, H., Chemical Similarity and Biological activity (with permission of the author) Structurally similar compounds can have very different properties Example: Y.Martin et al ( 2002) Do structurally similar molecules have similar biological activity ? Set of 1645 chemicals with I