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Towards automatic classification within the ChEBI ontology Nature Precedings
Janna Hastings; Paula de Matos; Marcus Ennis; Christoph Steinbeck.
*Background*
Appearing in a wide variety of contexts, biochemical 'small molecules' are a core element of biomedical data. Chemical ontologies, which provide stable identifiers and a shared vocabulary for use in referring to such biochemical small molecules, are crucial to enable the interoperation of such data. One such chemical ontology is ChEBI (Chemical Entities of Biological Interest), a candidate member ontology of the OBO Foundry. ChEBI is a publicly available, manually annotated database of chemical entities and contains around 18000 annotated entities as of the last release (May 2009). ChEBI provides stable unique identifiers for chemical entities; a controlled vocabulary in the form of recommended names (which...
Tipo: Poster Palavras-chave: Chemistry; Bioinformatics.
Ano: 2009 URL: http://precedings.nature.com/documents/3525/version/1
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ChEBI – an Open-access Chemistry Resource for the Life Sciences:Facilities for On-line Submission and Curation Nature Precedings
Marcus Ennis; Nico Adams; Adriano Dekker; Paula de Matos; Janna Hastings; Kenneth Haug; Duncan Hull; Zara Josephs; Gareth Owen; Steve Turner; Christoph Steinbeck.
ChEBI (Chemical Entities of Biological Interest) is a database of ‘small’ molecular entities structured around a chemical ontology. It contains almost 600,000 entries, of which approximately 20,000 have been manually curated, as well as entries for groups (parts of molecular entities) and classes of entities. It provides a wide range of information such as chemical nomenclature, structures and related chemical values, and establishes interrelationships between entities in the ontology, in terms of both structure and role. ChEBI places a strong focus on quality, with exceptional efforts being applied to upholding IUPAC nomenclature recommendations and best IUPAC practices when drawing chemical structures....
Tipo: Poster Palavras-chave: Chemistry; Bioinformatics; Data Standards.
Ano: 2010 URL: http://precedings.nature.com/documents/5089/version/1
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