Semantic description and tracking of analysis of chemical data

Fu, Hongchen and Frey, Jeremy G. (2004) Semantic description and tracking of analysis of chemical data. In, Zhuge, Hai, Cheung, William K. and Liu, Jie (eds.) Proceedings of the Second International Workshop on the Knowledge Grid and Grid Intelligence (KGGI 2004). Second International Workshop on the Knowledge Grid and Grid Intelligence Beijing, China, China Knowledge Grid Research Group.


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We investigate the use of semantic technologies to describe chemical data in a manner that facilitates the subsequent reuse of both the data and the analysis procedure used to produce the data. We first propose an approach to describe and record the analysis process for a physical chemistry laser spectroscopic experiment that serves as an e-logbook for people and provides a sufficiently rich semantic description suitable for programmatic processing of the entries. We then developed a semantic-aware enactment system to perform the analysis using the information in the RDF description of the analysis process. A generic RDF browser was developed to browse and reuse the analysis process. The raw and analyzed data is displayed graphically in web browser using interactive SVG tools. This approach demonstrates that semantic technology is an appropriate technology to record and manage the complicated, flexible analysis procedures used to interpret physical chemistry experimental data.

Item Type: Book Section
Additional Information: combechem output
ISBNs: 0973403985 (hardback)
Related URLs:
Keywords: chemistry, publication@source, semantics, rdf, data tracking
Subjects: Q Science > QA Mathematics > QA75 Electronic computers. Computer science
Q Science > QD Chemistry
Divisions : University Structure - Pre August 2011 > School of Chemistry
ePrint ID: 11240
Accepted Date and Publication Date:
21 September 2004Published
Date Deposited: 05 Nov 2004
Last Modified: 31 Mar 2016 11:22

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