Chemical classification

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Chemical classification systems attempt to classify as elements or compounds according to certain chemical functional or structural properties. Where as the structural properties are largely intrinsic, functional properties and the derived classifications depend to a certain degree on the type of chemical 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 chemical taxonomies.

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 the QSAR can usually not be directly computed from structural qualities.

Physico-chemical classification

by molecular weight
by electrical charge: uncharged, positively, negatively, partially charged
- formal charge, oxidation state
solubility
pH value

Structural classification

Usually binary classifications and combinations thereof:

radicals, non-radicals
cyclic vs. linear
type of major bond: ionic (salts) vs. covalent, metallic
organic vs. inorganic compounds (depends on whether carbon is the main constituent or not)
(in organic chemistry)
- aliphatic vs. aromatic compounds

Functional classification

Chemical function

by functional group

Pharmacological/biological function

Mostly appropriate only for large biological molecules (as at least one interacting partner), in particular enzymes, depends on chemical functions of their constituent amino acids.

ligand vs. receptor, coenzyme
EC number
TC number
pharmacophore vs. non-drug

See also: biological activity

Mixed systems

Anatomical Therapeutic Chemical Classification System
Gene Ontology

External links

http://www.ebi.ac.uk/chebi/ Chemical Entities of Biological Interest

v t e Functional groups

Acetyl Acetoxy Acryloyl Acyl Alcohol Aldehyde Alkane Alkene Alkyne Alkoxy group Amide Amine Azo compound Benzene derivative Carbene Carbonyl Carboxylic acid Cyanate Disulfide Dioxirane Ester Ether Epoxide Haloalkane Hydrazone Hydroxyl Imide Imine Isocyanate Isonitrile Isothiocyanate Ketone Methyl Methylene bridge Methylene group Methine Nitrile Nitrene Nitro compound Nitroso compound Organophosphorus Oxime Peroxide Phosphonous and Phosphonic acid Pyridine derivative Selenol Selenonic acid Sulfone Sulfonic acid Sulfoxide Tellurol Thial Thiocyanate Thioester Thioether Thioketone Thiol Urea

See also Chemical classification

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