Files in this item
Communication and re-use of chemical information in bioscience
Item metadata
dc.contributor.author | Murray-Rust, P | |
dc.contributor.author | Mitchell, John B. O. | |
dc.contributor.author | Rzepa, H S | |
dc.date.accessioned | 2012-06-28T11:31:01Z | |
dc.date.available | 2012-06-28T11:31:01Z | |
dc.date.issued | 2005-07-18 | |
dc.identifier.citation | Murray-Rust , P , Mitchell , J B O & Rzepa , H S 2005 , ' Communication and re-use of chemical information in bioscience ' , BMC Bioinformatics , vol. 6 , 180 . https://doi.org/10.1186/1471-2105-6-180 | en |
dc.identifier.issn | 1471-2105 | |
dc.identifier.other | PURE: 3452137 | |
dc.identifier.other | PURE UUID: cf31a88e-2777-4d5c-ad63-2a78c330e3ce | |
dc.identifier.other | WOS: 000231252300001 | |
dc.identifier.other | Scopus: 25444493812 | |
dc.identifier.other | ORCID: /0000-0002-0379-6097/work/34033415 | |
dc.identifier.uri | https://hdl.handle.net/10023/2861 | |
dc.description.abstract | The current methods of publishing chemical information in bioscience articles are analysed. Using 3 papers as use-cases, it is shown that conventional methods using human procedures, including cut-and-paste are time-consuming and introduce errors. The meaning of chemical terms and the identity of compounds is often ambiguous. valuable experimental data such as spectra and computational results are almost always omitted. We describe an Open XML architecture at proof-of-concept which addresses these concerns. Compounds are identified through explicit connection tables or links to persistent Open resources such as PubChem. It is argued that if publishers adopt these tools and protocols, then the quality and quantity of chemical information available to bioscientists will increase and the authors, publishers and readers will find the process cost-effective. | |
dc.format.extent | 15 | |
dc.language.iso | eng | |
dc.relation.ispartof | BMC Bioinformatics | en |
dc.rights | © 2005 Murray-Rust et al; licensee BioMed Central Ltd. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. | en |
dc.subject | Chemistry | en |
dc.subject | QD Chemistry | en |
dc.subject.lcc | QD | en |
dc.title | Communication and re-use of chemical information in bioscience | en |
dc.type | Journal item | en |
dc.description.version | Publisher PDF | en |
dc.contributor.institution | University of St Andrews. School of Chemistry | en |
dc.contributor.institution | University of St Andrews. Biomedical Sciences Research Complex | en |
dc.contributor.institution | University of St Andrews. EaSTCHEM | en |
dc.identifier.doi | https://doi.org/10.1186/1471-2105-6-180 | |
dc.description.status | Peer reviewed | en |
dc.identifier.url | http://www.scopus.com/inward/record.url?scp=25444493812&partnerID=8YFLogxK | en |
This item appears in the following Collection(s)
Items in the St Andrews Research Repository are protected by copyright, with all rights reserved, unless otherwise indicated.