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Title: Communication and re-use of chemical information in bioscience
Authors: Murray-Rust, P
Mitchell, John B. O.
Rzepa, H S
Keywords: Chemistry
QD Chemistry
Issue Date: 18-Jul-2005
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 . , 10.1186/1471-2105-6-180
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.
Version: Publisher PDF
Status: Peer reviewed
ISSN: 1471-2105
Type: Journal item
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 (, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Appears in Collections:University of St Andrews Research
Chemistry Research
Biomedical Sciences Research Complex (BSRC) Research

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