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Chemical classification systems attempt to classifyelements orcompounds according to certain chemical functional orstructural properties. Whereas the structural properties are largelyintrinsic, functional properties and the derived classifications depend to a certain degree on the type ofchemical interaction partners on which the function is exerted. Sometimes other criteria like purely physical ones (e.g.molecular weight) or – on the other hand – functional properties above the chemical level are also used for building chemicaltaxonomies.
Some systems mix the various levels, resulting in hierarchies where the domains are slightly confused, for example having structural and functional aspects end up on the same level. Whereas chemical function is closely dependent on chemical structure, the situation becomes more involved when e.g.pharmacological function is integrated, because theQSAR can usually not be directly computed from structural qualities.
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