The ChEMBL database as linked open data
Copyright policy )The ChEMBL database as linked open data
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 the data machine-readable and uses extensible vocabularies for additional information, making it easier to scale up inference and data analysis.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.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, the ChEMBL-RDF resource creates a foundation for integrated semantic web cheminformatics applications, such as the presented decision support.
- Wellcome Trust United Kingdom
- Indiana University United States
- University of Queensland Australia
- School of Informatics and Computing Indiana University United States
- Uppsala University Sweden
info:eu-repo/classification/ddc/540, ChEMBL; Bioactivity; Semantic web; Resource Description Framework; Linked Data, ChEMBL, PROTEIN, Library and Information Sciences, 1704 Computer Graphics and Computer-Aided Design, Bioactivity, CHEMICAL BIOLOGY DATA, SYSTEMS, 1706 Computer Science Applications, Physical and Theoretical Chemistry, Bioinformatics (Computational Biology), Linked data, Methodology, Resource Description Framework, FRAMEWORK, Computer Graphics and Computer-Aided Design, 004, Computer Science Applications, ONTOLOGY, Resource description framework, LINKING, Linked Data, Bioinformatik (beräkningsbiologi), 3309 Library and Information Sciences, 1606 Physical and Theoretical Chemistry, Semantic web
info:eu-repo/classification/ddc/540, ChEMBL; Bioactivity; Semantic web; Resource Description Framework; Linked Data, ChEMBL, PROTEIN, Library and Information Sciences, 1704 Computer Graphics and Computer-Aided Design, Bioactivity, CHEMICAL BIOLOGY DATA, SYSTEMS, 1706 Computer Science Applications, Physical and Theoretical Chemistry, Bioinformatics (Computational Biology), Linked data, Methodology, Resource Description Framework, FRAMEWORK, Computer Graphics and Computer-Aided Design, 004, Computer Science Applications, ONTOLOGY, Resource description framework, LINKING, Linked Data, Bioinformatik (beräkningsbiologi), 3309 Library and Information Sciences, 1606 Physical and Theoretical Chemistry, Semantic web
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