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The semantic smart laboratory: a system for supporting the chemical eScientist

Hughes, Gareth, Mills, Hugo, de Roure, David, Frey, Jeremy, Moreau, Luc, schraefel, m.c., Smith, Graham and Zaluska, Ed (2004) The semantic smart laboratory: a system for supporting the chemical eScientist Organic and Biomolecular Chemistry, 2, (22), pp. 3284-3293.

Record type: Article


One goal of eScience is to enable the end-to-end publication of experiments and results. In the Combechem project we have developed an innovative human-centred system which captures the process of a chemistry experiment from plan to execution. The system comprises an electronic lab book replacement, which has been successfully trialled in a synthetic organic chemistry laboratory, and a flexible back-end storage system. Working closely with the users, we found that a light touch and a high degree of flexibility was required in the user interface. In this paper, we concentrate on the representation and storage of human-scale experiment metadata, introducing an ontology to describe the record of an experiment, and a storage system for the data from our lab book software. Just as the interfaces need to be flexible to cope with whatever a chemist wishes to record, so the back end solutions need to be similarly flexible to store any metadata that may be created. The storage system is based on Semantic Web technologies, such as RDF, and Web Services. It gives a much higher degree of flexibility to the type of metadata it can store, compared to the use of rigid relational databases.

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Published date: 2004
Keywords: smart labratory, semantic web, smart tea
Organisations: Web & Internet Science, Agents, Interactions & Complexity, Computational Systems Chemistry


Local EPrints ID: 260099
ISSN: 1477-0520
PURE UUID: e4431172-8160-464a-85e9-787f987f8cfe
ORCID for David de Roure: ORCID iD
ORCID for Jeremy Frey: ORCID iD
ORCID for Luc Moreau: ORCID iD

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Date deposited: 11 Nov 2004
Last modified: 10 Oct 2017 16:39

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Author: Gareth Hughes
Author: Hugo Mills
Author: David de Roure ORCID iD
Author: Jeremy Frey ORCID iD
Author: Luc Moreau ORCID iD
Author: m.c. schraefel
Author: Graham Smith
Author: Ed Zaluska

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