The University of Southampton
University of Southampton Institutional Repository

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 Zhuge, Hai, Cheung, William K. and Liu, Jie (eds.) In Proceedings of the Second International Workshop on the Knowledge Grid and Grid Intelligence (KGGI 2004). China Knowledge Grid Research Group. 9 pp.

Record type: Conference or Workshop Item (Paper)


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.

PDF KGGI04-final.pdf - Other
Download (171kB)
Microsoft Word datatracking_kGGI.doc - Other
Restricted to Registered users only
Download (585kB)

More information

Published date: 21 September 2004
Additional Information: combechem output
Venue - Dates: Second International Workshop on the Knowledge Grid and Grid Intelligence, 2004-09-19 - 2004-09-21
Keywords: chemistry, publication@source, semantics, rdf, data tracking


Local EPrints ID: 11240
ISBN: 0973403985
PURE UUID: 913b33cf-ef22-4279-86e1-97d071f22f26
ORCID for Jeremy G. Frey: ORCID iD

Catalogue record

Date deposited: 05 Nov 2004
Last modified: 17 Jul 2017 17:04

Export record


Author: Hongchen Fu
Author: Jeremy G. Frey ORCID iD
Editor: Hai Zhuge
Editor: William K. Cheung
Editor: Jie Liu

University divisions

Download statistics

Downloads from ePrints over the past year. Other digital versions may also be available to download e.g. from the publisher's website.

View more statistics

Atom RSS 1.0 RSS 2.0

Contact ePrints Soton:

ePrints Soton supports OAI 2.0 with a base URL of

This repository has been built using EPrints software, developed at the University of Southampton, but available to everyone to use.

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.