CombeChem: a case study in provenance and annotation using the Semantic Web

Frey, Jeremy, De Roure, David, Taylor, Kieron, Essex, Jonathan, Mills, Hugo and Zaluska, Ed (2006) CombeChem: a case study in provenance and annotation using the Semantic Web. In, Moreau, Luc and Foster, Ian (eds.) Provenance and Annotation of Data. International Provenance and Annotation Workshop, IPAW 2006 Berlin, Germany, Springer, 270-277. (Lecture Notes in Computer Science, 4145/2006). (doi:10.1007/11890850_27).


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The CombeChem e-Science project has demonstrated the advantages of using Semantic Web technology, in particular RDF and triplestores, to describe and link diverse and complex chemical information, covering the whole process of the generation of chemical knowledge from inception in the synthetic chemistry laboratory, through analysis of the materials made which generates physical measurements, computations based on this data to develop interpretations, and the subsequent dissemination of the knowledge gained. The project successfully adopted a strategy of capturing semantic annotations ‘at source’ and establishing schema and ontologies based closely on current operational practice in order to facilitate implementation and adoption. The resulting ‘Semantic Data Grid’ comprises around 45 million RDF triples across multiple stores.

Item Type: Book Section
Digital Object Identifier (DOI): doi:10.1007/11890850_27
ISBNs: 9783540463023 (hardback)
ISSNs: 0302-9743 (print)
Related URLs:
Subjects: Z Bibliography. Library Science. Information Resources > ZA Information resources > ZA4050 Electronic information resources
Q Science > QA Mathematics > QA75 Electronic computers. Computer science
Q Science > QD Chemistry
Divisions : University Structure - Pre August 2011 > School of Electronics and Computer Science > Grid and Pervasive Computing Research Group
University Structure - Pre August 2011 > School of Chemistry
ePrint ID: 42344
Accepted Date and Publication Date:
Date Deposited: 29 Nov 2006
Last Modified: 31 Mar 2016 12:14
The Crystal Grid Network
Funded by: EPSRC (EP/C007271/1)
1 April 2005 to 31 December 2006

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