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  • Willighagen, Egon L (author)

The ChEMBL database as linked open data

  • Article/chapterEnglish2013

Publisher, publication year, extent ...

  • 2013-05-08
  • Springer Science and Business Media LLC,2013
  • electronicrdacarrier

Numbers

  • LIBRIS-ID:oai:DiVA.org:uu-202125
  • https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-202125URI
  • https://doi.org/10.1186/1758-2946-5-23DOI

Supplementary language notes

  • Language:English
  • Summary in:English

Part of subdatabase

Classification

  • Subject category:ref swepub-contenttype
  • Subject category:art swepub-publicationtype

Notes

  • Background: Making data available as Linked Data using Resource Description Framework (RDF) promotes integration with other web resources. RDF documents can natively link to related data, and others can link back using Uniform Resource Identifiers (URIs). RDF makes thedata machine-readable and uses extensible vocabularies for additional information, making it easier to scale up inference and data analysis. Results: This paper describes recent developments in an ongoing project converting data from the ChEMBL database into RDF triples. Relative to earlier versions, this updated version of ChEMBL-RDF uses recently introduced ontologies, including CHEMINF and CiTO; exposes more information from the database; and is now available as dereferencable,linked data. To demonstrate these new features, we present novel use cases showing further integration with other web resources, including Bio2RDF, Chem2Bio2RDF, and ChemSpider, and showing the use of standard ontologies for querying. Conclusions: We have illustrated the advantages of using open standards and ontologies to link the ChEMBL database to other databases. Using those links and the knowledge encoded in standards and ontologies, theChEMBL-RDF resource creates a foundation for integrated semantic web cheminformatics applications, such as the presented decision support.

Subject headings and genre

Added entries (persons, corporate bodies, meetings, titles ...)

  • Waagmeester, Andra (author)
  • Spjuth, Ola,1977-Uppsala universitet,Institutionen för farmaceutisk biovetenskap(Swepub:uu)olspj499 (author)
  • Ansell, Peter (author)
  • Williams, Antony J (author)
  • Tkachenko, Valery (author)
  • Hastings, Janna (author)
  • Chen, Bin (author)
  • Wild, David J (author)
  • Uppsala universitetInstitutionen för farmaceutisk biovetenskap (creator_code:org_t)

Related titles

  • In:Journal of Cheminformatics: Springer Science and Business Media LLC5:1, s. 23-1758-2946

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