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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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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BioMed Central
2005
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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. |
format | Text |
id | pubmed-1187874 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2005 |
publisher | BioMed Central |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT murrayrustpeter communicationandreuseofchemicalinformationinbioscience AT mitchelljohnbo communicationandreuseofchemicalinformationinbioscience AT rzepahenrys communicationandreuseofchemicalinformationinbioscience |