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Chemical classification systems attempt to classify elements or
compounds Compound may refer to: Architecture and built environments * Compound (enclosure), a cluster of buildings having a shared purpose, usually inside a fence or wall ** Compound (fortification), a version of the above fortified with defensive structu ...
according to certain chemical functional or
structural A structure is an arrangement and organization of interrelated elements in a material object or system A system is a group of Interaction, interacting or interrelated elements that act according to a set of rules to form a unified whole. A sy ...
properties. Whereas the structural properties are largely
intrinsic In science and engineering, an intrinsic property is a property of a specified subject that exists itself or within the subject. An extrinsic property is not essential or inherent to the subject that is being characterized. For example, mass ...
, functional properties and the derived classifications depend to a certain degree on the type of
chemical interaction Interaction is a kind of action that occurs as two or more objects have an effect upon one another. The idea of a two-way effect is essential in the concept of interaction, as opposed to a one-way causal effect. Closely related terms are inter ...
partners on which the function is exerted. Sometimes other criteria like purely physical ones (e.g.
molecular weight A scanning tunneling microscopy image of pentacene molecules, which consist of linear chains of five carbon rings. A molecule is an electrically Electricity is the set of physical phenomena associated with the presence and motion I ...
) 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 Pharmacology is a branch of medicine Medicine is the Art (skill), art, science, and Praxis (process) , practice of caring for a patient and managing the diagnosis, prognosis, Preventive medicine, prevention, therapy, treatment or Palliative ...
function is integrated, because the
QSAR
QSAR
can usually not be directly computed from structural qualities.


Physico-chemical classification

* by
molecular weight A scanning tunneling microscopy image of pentacene molecules, which consist of linear chains of five carbon rings. A molecule is an electrically Electricity is the set of physical phenomena associated with the presence and motion I ...
* by
electrical charge Electricity is the set of physical Physical may refer to: *Physical examination, a regular overall check-up with a doctor *Physical (album), ''Physical'' (album), a 1981 album by Olivia Newton-John **Physical (Olivia Newton-John song), "Physi ...
: uncharged, positively, negatively, partially charged **
formal charge In chemistry Chemistry is the scientific Science () is a systematic enterprise that builds and organizes knowledge Knowledge is a familiarity or awareness, of someone or something, such as facts A fact is an occurrence in th ...
,
oxidation state The oxidation state, or oxidation number, is the hypothetical charge Charge or charged may refer to: Arts, entertainment, and media Films * ''Charge, Zero Emissions/Maximum Speed'', a 2011 documentary Music * Charge (David Ford album), ''Charge ...
*
solubility In chemistry Chemistry is the scientific Science () is a systematic enterprise that builds and organizes knowledge Knowledge is a familiarity or awareness, of someone or something, such as facts A fact is an occurrence i ...

solubility
*
pH value In chemistry Chemistry is the scientific discipline involved with Chemical element, elements and chemical compound, compounds composed of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they ...


Functional classification


Chemical function

* by
functional group In organic chemistry, a functional group is a substituent or moiety (chemistry), moiety in a molecule that causes the molecule's characteristic chemical reactions. The same functional group will undergo the same or similar chemical reactions re ...


Pharmacological/biological function

Mostly appropriate only for large biological molecules (as at least one interacting partner), in particular
enzyme Enzymes () are proteins that act as biological catalysts (biocatalysts). Catalysts accelerate chemical reactions. The molecules upon which enzymes may act are called substrate (chemistry), substrates, and the enzyme converts the substrates in ...

enzyme
s, depends on chemical functions of their constituent
amino acid Amino acids are organic compound In , organic compounds are generally any s that contain - . Due to carbon's ability to (form chains with other carbon s), millions of organic compounds are known. The study of the properties, reactions, a ...

amino acid
s. *
ligand In coordination chemistry A coordination complex consists of a central atom An atom is the smallest unit of ordinary matter In classical physics and general chemistry, matter is any substance that has mass and takes up space by havi ...
vs.
receptor
receptor
,
coenzyme A cofactor is a non-protein Proteins are large biomolecule , showing alpha helices, represented by ribbons. This poten was the first to have its suckture solved by X-ray crystallography by Max Perutz and Sir John Cowdery Kendrew in 195 ...
* EC number *
TC number The Transporter Classification Database (or TCDB) is an International Union of Biochemistry and Molecular Biology (IUBMB)-approved classification system for membrane transport proteins, including ion channels. Classification The upper level of clas ...
*
pharmacophore 300px, An example of a pharmacophore model. A pharmacophore is an abstract description of molecule, molecular features that are necessary for molecular recognition of a ligand (biochemistry), ligand by a biological macromolecule. International Unio ...

pharmacophore
vs. non-
drug A drug is any chemical substance that causes a change in an organism's physiology or psychology when consumed. Drugs are typically distinguished from food and substances that provide nutritional support. Consumption of drugs can be via insuffl ...

drug


Mixed systems

*
Anatomical Therapeutic Chemical Classification SystemThe Anatomical Therapeutic Chemical (ATC) Classification System is a drug classification system that classifies the active ingredients of drug File:Aspirine macro shot.jpg, Uncoated aspirin Tablet (pharmacy), tablets, consisting of about 90% ac ...
*
Gene Ontology The Gene Ontology (GO) is a major bioinformatics Bioinformatics () is an field that develops methods and s for understanding data, in particular when the data sets are large and complex. As an interdisciplinary field of science, bioinforma ...


See also

*
Globally Harmonized System of Classification and Labelling of Chemicals The Globally Harmonized System of Classification and Labelling of Chemicals (GHS) is an internationally agreed-upon standard managed by the United Nations that was set up to replace the assortment of hazardous material classification and labelli ...
*
Chemical Entities of Biological InterestChebi may refer to: *ChEBI, Chemical Entities of Biological Interest *Chebi Khan (fl. 630-650), a claimant of the title of khan of Eastern Turkic Khaganate after the collapse of Xueyantuo *Chebi, Ethiopia, a town in Jeldu woreda, Ethiopia *Typhoon C ...


External links

* {{Functional Groups
classification Classification is a process related to categorization Categorization is the human ability and activity of recognizing shared features or similarities between the elements of the experience Experience refers to conscious , an English Paracels ...