Reaction taxonomy

It is clear now that we could rewrite the reaction rules to invoke subrules or layers of qualifiers as a means of effecting reaction selectivity but checking every qualifier of every rule called would slow SYNLMA significantly. This level of consideration would more reasonably be done after several strategies had been chosen for further investigation. Our experiments with reaction taxonomies are discussed later in this paper. Without the constraints SYNLMA finds more paths but is less efficient in its generation of viable synthetic pathways. 

Shreve1s classification of unit processes is very different and actually very brief seven broad types of reactions suffice to cover the whole set of unit processes. He then devotes the overwhelming part of his classification to the series of variables needed to undertake the systematic study of a given unit process. In other words, Shreve seems to be treating a taxonomy as if it were a kind of checklist needed to operate a... 

Similarly, an elaborate taxonomy of fragmentation reactions has been built up for the case of electron impact excitation,166 as studied by mass spectrometry. This taxonomy is accurately enough known to permit determination of the structures of complex organic molecules.166... 

Although the ET processes represented by reactions 3 and 5 are nonphysiologi-cal, they can provide useful information. Thus, by varying the structure of the flavin it is possible to probe the steric and electrostatic environment of a protein redox center [38, 39]. This can be used as a method for assessing functional relationships between members of a homologous series of redox proteins (kinetic taxonomy). It is also possible to use these reactions to test the functional integrity of a redox center in a site-specific mutant [43]. 

Structures provide physico-chemical regulation of metabolic reactions catalysts provide rate-kinehc regulation. Among catalysts, as among structures, an identih-able functional taxonomy, up to homology, is present. 

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