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A Semantic Datagrid for Combinatorial Chemistry

Taylor, K., Gledhill, R., Essex, J. W., Frey, J. G., Harris, S. W. and De Roure, D. (2005) A Semantic Datagrid for Combinatorial Chemistry. In: The 6th IEEE/ACM International Workshop on Grid Computing, November 13-14, 2005, Seattle. pp. 148-155.

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Abstract

The CombeChem project has designed and deployed an e-Science infrastructure using a combination of Grid and Semantic Web technologies. In this paper we describe the datagrid element of the project, which provides a platform for sophisticated scientific queries and a rich record of experimental data and its provenance. This datagrid constitutes a significant deployment of Semantic Web technologies and we propose it as an example of a ‘Semantic Datagrid’.

Item Type:Conference or Workshop Item
Creator/Authors:
Kieron Taylor
Rob Gledhill
Jonathan W Essex
Jeremy G Frey
Stephen W Harris
David De Roure
Research Group:Old ECS Groups > Grid and Pervasive Computing Research Group
Old ECS Groups > Intelligence, Agents, Multimedia
Date:2005
Information about this record:
Performance Indicator:EZ~06~02~04
Citations:Google Scholar: 16
Downloads (2010):33
ID Code:11778
Last Modified:23 Sep 2011 10:33
Deposited On:18 Jan 2006 by De Roure, David

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References in Article

Select the SEEK icon to attempt to find the referenced article. If it does not appear to be in this archive you will be forwarded to the paracite service. Poorly formated references will probably not work.

[1] J.G.Frey, M.Bradley, J.W.Essex, M.B.Hursthouse, S.M.Lewis, M.M.Luck, L.Moreau, D.De Roure, M.Surridge and A.Welsh,‘Combinatorial Chemistry and the Grid’, published in ‘Grid Computing: Making the Global Infrastructure a Reality’, edited by F.Berman, G.Fox and T.Hey,Wiley (2003).

[2] Tony Hey and Anne E. Trefethen, 'The UK e-Science Core Programme and the Grid', Future Generation Computer Systems 18 (2002) 1017-1031.

[3] J. G. Frey, D. De Roure, L. A. Carr, Publication at Source: Scientific Communication from a Publication Web to a Data Grid, Euroweb 2002 Conference, The Web and the Grid: From e-Science to e-Business. British Computer Society, 2002.

[4] T.Berners-Lee, J.Hendler and O.Lassila, ‘The Semantic Web’, Scientific American, Vol. 284, No. 5, pp 34-43, May 2001.

[5] D.De Roure, N.R.Jennings and N.R.Shadbolt, ‘Research Agenda for the Semantic Grid: A Future e-Science Infrastructure’, National e-Science

Centre, Edinburgh, U.K., UKeS-2002-02, Dec. 2001. Also see De Roure, D. Jennings, N.R. Shadbolt, N.R. The Semantic Grid: Past, Present, and Future, Proceedings of the IEEE, Volume 93, Issue 3, March 2005, Pages 669-681.

[6] C. A. Goble, D. De Roure, N. R. Shadbolt, and A. A. A. Fernandes, "Enhancing Services and Applications with Knowledge and Semantics," in The Grid 2: Blueprint for a New Computing Infrastructure, I. Foster and C. Kesselman, Eds.: Morgan-Kaufmann, 2004, pp. 431-458.

[7] InChI International Chemical Identifier http://www.iupac.org/inchi/

[8] World Wide Web Consortium, Resource Description Framework http://www.w3.org/rdf/, 1997.

[9] G.Hughes, H.Mills, D.De Roure, J.G.Frey, L.Moreau, m.c.schraefel, G.Smith and E.Zaluska, ‘The semantic smart laboratory: A system for supporting the chemical e-Scientist’, Org. Biomol. Chem. Vol. 2, No. 22, pp3284-3293, 2004.

[10] m.c.schraefel, G.Hughes, H.Mills, G.Smith, T.Payne and J.Frey, ‘Breaking the Book: Translating the Chemistry Lab Book to a Pervasive Computing Environment’, published in Proceedings of the Conference on Human Factors (CHI), 2004.

[11] P. Murray-Rust, "The World Wide Molecular Matrix - a peer-to-peer XML repository for molecules and properties," presented at EuroWeb2002, Oxford, UK, 2002.

[12] J. D. Myers et al, "A Collaborative Informatics Infrastructure for Multiscale Science," presented at Challenges of Large Applications in Distributed Environments (CLADE) Workshop, Honolulu, 2004.

[13] Jena – A Semantic Web Framework for Java, http://jena.sourceforge.net/

[14] Andy Seaborne. RDQL - A Query Language for RDF, W3C Member Submission 9 January 2004. http://www.w3.org/Submission/RDQL/

[15] Harris, S and Gibbins, N.3store: Efficient Bulk RDF Storage. In Proceedings of the First International Workshop on Practical and Scalable Semantic Web Systems (PSSS2003), Sanibel Island, Florida, USA.

[16] Kowari Metastore, http://www.kowari.org/

[17] D. De Roure, "On Self-Organization and the Semantic Grid," in IEEE Intelligent Systems, vol. 18, 2003, pp. 77-79.

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