Bringing chemical data onto the semantic web
Taylor, Kieron R., Gledhill, Robert, Essex, Jonathan W., Frey, Jeremy G., Harris, S.W. and De Roure, Dave C. (2006) Bringing chemical data onto the semantic web. Journal of Chemical Information and Modeling, 46, (3), 939-952. (doi:10.1021/ci050378m).
Download
Full text not available from this repository.
Description/Abstract
Present chemical data storage methodologies place many restrictions on the use of the stored data. The absence of sufficient high-quality metadata prevents intelligent computer access to the data without human intervention. This creates barriers to the automation of data mining in activities such as quantitative structure-activity relationship modelling. The application of Semantic Web technologies to chemical data is shown to reduce these limitations. The use of unique identifiers and relationships (represented as uniform resource identifiers, URIs, and resource description framework, RDF) held in a triplestore provides for greater detail and flexibility in the sharing and storage of molecular structures and properties.
| Item Type: | Article |
|---|---|
| Additional Information: | comebchem project output |
| ISSNs: | 1549-9596 (print) |
| Related URLs: | |
| Keywords: | CombeChem, e-Science, semantic web, RDF, schema |
| Subjects: | Q Science > QA Mathematics > QA75 Electronic computers. Computer science Q Science > QD Chemistry |
| Divisions: | University Structure - Pre August 2011 > School of Electronics and Computer Science University Structure - Pre August 2011 > School of Chemistry |
| Item ID: | 32799 |
| Date Deposited: | 22 May 2006 |
| Last Modified: | 01 Jun 2011 04:21 |
| Contributors: | Taylor, Kieron R. (Author) Gledhill, Robert (Author) Essex, Jonathan W. (Author) Frey, Jeremy G. (Author) Harris, S.W. (Author) De Roure, Dave C. (Author) |
| Date: | 6 January 2006 |
| Additional Information: | comebchem project output |
| Status: | Published |
| Contact Email Address: | j.g.frey@soton.ac.uk |
| URI: | http://eprints.soton.ac.uk/id/eprint/32799 |
Actions (login required)
 |
View Item |
