Chemical Entities of Biological Interest, also known as ChEBI,
is a database and ontology of molecular entities focused on 'small'
chemical compounds, that is part of the Open Biomedical Ontologies
effort. The term "molecular entity" refers to any "constitutionally or
isotopically distinct atom, molecule, ion, ion pair, radical, radical
ion, complex, conformer, etc., identifiable as a separately
distinguishable entity". The molecular entities in question are
either products of nature or synthetic products which have potential
bioactivity. Molecules directly encoded by the genome, such as nucleic
acids, proteins and peptides derived from proteins by proteolytic
cleavage, are not as a rule included in ChEBI.
1 Scope and access 2 Similarity measures 3 See also 4 References 5 External links
Scope and access
All data in the database is non-proprietary or is derived from a
non-proprietary source. It is thus freely accessible and available to
anyone. In addition, each data item is fully traceable and explicitly
referenced to the original source.
ChEMBL ChemIDplus DrugBank PubChem
^ a b de Matos P, Alcántara R, Dekker A, Ennis M, Hastings J, Haug K, Spiteri I, Turner S, Steinbeck C (January 2010). "Chemical Entities of Biological Interest: an update". Nucleic Acids Research. 38 (Database issue): D249–54. doi:10.1093/nar/gkp886. PMC 2808869 . PMID 19854951. ^ Degtyarenko K, de Matos P, Ennis M, Hastings J, Zbinden M, McNaught A, Alcántara R, Darsow M, Guedj M, Ashburner M (January 2008). "ChEBI: a database and ontology for chemical entities of biological interest". Nucleic Acids Research. 36 (Database issue): D344–50. doi:10.1093/nar/gkm791. PMC 2238832 . PMID 17932057. ^ IUPAC, Compendium of Chemical Terminology, 2nd ed. (the "Gold Book") (1997). Online corrected version: (2006–) "molecular entity". ^ Ferreira JD, Couto FM (September 2010). "Semantic similarity for automatic classification of chemical compounds". PLoS Computational Biology. 6 (9). doi:10.1371/journal.pcbi.1000937. PMC 2944781 . PMID 20885779. ^ Ferreira JD, Hastings J, Couto FM (November 2013). "Exploiting disjointness axioms to improve semantic similarity measures". Bioinformatics. 29 (21): 2781–7. doi:10.1093/bioinformatics/btt491. PMID 24002110.