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Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance

Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance
Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance
Cheminformatics is evolving from being a field of study associated primarily with drug discovery into a discipline that embraces the distribution, management, access, and sharing of chemical data. The relationship with the related subject of bioinformatics is becoming stronger and better defined, owing to the influence of Semantic Web technologies, which enable researchers to integrate heterogeneous sources of chemical, biochemical, biological, and medical information. These developments depend on a range of factors: the principles of chemical identifiers and their role in relationships between chemical and biological entities; the importance of preserving provenance and properly curated metadata; and an understanding of the contribution that the Semantic Web can make at all stages of the research lifecycle. The movements toward open access, open source, and open collaboration all contribute to progress toward the goals of integration.
1759-0876
465-481
Frey, Jeremy G.
ba60c559-c4af-44f1-87e6-ce69819bf23f
Bird, Colin
5880b548-6b24-4ae5-8b56-acced401f3e4
Frey, Jeremy G.
ba60c559-c4af-44f1-87e6-ce69819bf23f
Bird, Colin
5880b548-6b24-4ae5-8b56-acced401f3e4

Frey, Jeremy G. and Bird, Colin (2013) Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance. Wiley Interdisciplinary Reviews: Computational Molecular Science, 3 (5), 465-481. (doi:10.1002/wcms.1127).

Record type: Article

Abstract

Cheminformatics is evolving from being a field of study associated primarily with drug discovery into a discipline that embraces the distribution, management, access, and sharing of chemical data. The relationship with the related subject of bioinformatics is becoming stronger and better defined, owing to the influence of Semantic Web technologies, which enable researchers to integrate heterogeneous sources of chemical, biochemical, biological, and medical information. These developments depend on a range of factors: the principles of chemical identifiers and their role in relationships between chemical and biological entities; the importance of preserving provenance and properly curated metadata; and an understanding of the contribution that the Semantic Web can make at all stages of the research lifecycle. The movements toward open access, open source, and open collaboration all contribute to progress toward the goals of integration.

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10.1002_wcms.1127.pdf - Version of Record
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Published date: September 2013
Organisations: Chemistry

Identifiers

Local EPrints ID: 349331
URI: http://eprints.soton.ac.uk/id/eprint/349331
ISSN: 1759-0876
PURE UUID: d47cac83-1d34-4cc5-8b46-88716e420abb
ORCID for Jeremy G. Frey: ORCID iD orcid.org/0000-0003-0842-4302

Catalogue record

Date deposited: 28 Feb 2013 16:56
Last modified: 18 Feb 2021 16:33

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