StructureActivity Relationships

Chemical data (e.g., physical and chemical properties, structureactivity relationships, and environmental fate and transport), basic toxicity data, and pharmacokinetic data (information on absorption, distribution (including placental and lactational transfer), metabolism, and excretion) should be reviewed. These data are particularly important because reproductive and developmental effects are interpreted in the context of general toxicity data in humans or experimental animals. Pharmacokinetic data for both animals and humans can be helpful in extrapolating exposure levels from one species to another. 

DunnGL.Ceftizoximeand otherthird-generationcephalosporins Structureactivity relationships. J Antimicrob Chemother 1982 10 1-10. 

Due to the knowledge of the enzymatic inactivation process, a great number of chemical transformations has been accomplished with the object of preventing these inactivating reactions. Full details of the chemical modifications have been given in Chap. III.2. These variations are summarised with respect to structureactivity relationships (Ref.. ... 

Heim, K.E Tagliaferro, A.R Bobilya, D.J. Flavonoid antioxidants chemistry, metabolism and structureactivity relationships. The Journal of Nutritional Biochemistry, v.l3, p. 572-584, 2002. 

Quantitative structure-activity relationships are used to model the biological effect of a set of compounds and to propose new structures with optimized biological activity (see Quantitative StructureActivity Relationships in Drug Design). Such a system makes extensive use of structure generation, substructure search, and symmetry perception algorithms. 

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