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Communication and re-use of chemical information in bioscience

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 co...

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Detalles Bibliográficos
Autores principales: Murray-Rust, Peter, Mitchell, John BO, Rzepa, Henry S
Formato: Texto
Lenguaje:English
Publicado: BioMed Central 2005
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1187874/
https://www.ncbi.nlm.nih.gov/pubmed/16026614
http://dx.doi.org/10.1186/1471-2105-6-180
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author Murray-Rust, Peter
Mitchell, John BO
Rzepa, Henry S
author_facet Murray-Rust, Peter
Mitchell, John BO
Rzepa, Henry S
author_sort Murray-Rust, Peter
collection PubMed
description 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.
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spelling pubmed-11878742005-08-18 Communication and re-use of chemical information in bioscience Murray-Rust, Peter Mitchell, John BO Rzepa, Henry S BMC Bioinformatics Commentary 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. BioMed Central 2005-07-18 /pmc/articles/PMC1187874/ /pubmed/16026614 http://dx.doi.org/10.1186/1471-2105-6-180 Text en Copyright © 2005 Murray-Rust et al; licensee BioMed Central Ltd. http://creativecommons.org/licenses/by/2.0 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.
spellingShingle Commentary
Murray-Rust, Peter
Mitchell, John BO
Rzepa, Henry S
Communication and re-use of chemical information in bioscience
title Communication and re-use of chemical information in bioscience
title_full Communication and re-use of chemical information in bioscience
title_fullStr Communication and re-use of chemical information in bioscience
title_full_unstemmed Communication and re-use of chemical information in bioscience
title_short Communication and re-use of chemical information in bioscience
title_sort communication and re-use of chemical information in bioscience
topic Commentary
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1187874/
https://www.ncbi.nlm.nih.gov/pubmed/16026614
http://dx.doi.org/10.1186/1471-2105-6-180
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