SEARCH Articles Figures Tables Abstraction of substrate properties to common chemical principles is one of the basic concepts of the biosimulation approach . From the xenobiotic substrate molecule strategic positions for enzymatic attack are identified, since it is these that represent the reaction profile of a chemical compound in biological systems. The reaction profile determines regio-, chemo-, and stereoselectivity of enzymatic conversions. For these reasons model substrates representing the functionalities [Publishers Imprint]