FAIR chemical structures in the Journal of Cheminformatics
Abstract The ability to access chemical information openly is an essential part of many scientific disciplines. The Journal of Cheminformatics is leading the way for rigorous, open cheminformatics in many ways, but there remains room for improvement in primary areas. This letter discusses how both a...
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doaj-a9a29a59baec4613b87a764d984a31742021-07-11T11:41:21ZengBMCJournal of Cheminformatics1758-29462021-07-011311310.1186/s13321-021-00520-4FAIR chemical structures in the Journal of CheminformaticsEmma L. Schymanski0Evan E. Bolton1Luxembourg Centre for Systems Biomedicine (LCSB), University of LuxembourgNational Center for Biotechnology Information, National Library of Medicine, National Institutes of HealthAbstract The ability to access chemical information openly is an essential part of many scientific disciplines. The Journal of Cheminformatics is leading the way for rigorous, open cheminformatics in many ways, but there remains room for improvement in primary areas. This letter discusses how both authors and the journal alike can help increase the FAIRness (Findability, Accessibility, Interoperability, Reusability) of the chemical structural information in the journal. A proposed chemical structure template can serve as an interoperable Additional File format (already accessible), made more findable by linking the DOI of this data file to the article DOI metadata, supporting further reuse.https://doi.org/10.1186/s13321-021-00520-4Open scienceOpen accessChemical informationCheminformaticsChemical databaseChemical deposition |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Emma L. Schymanski Evan E. Bolton |
spellingShingle |
Emma L. Schymanski Evan E. Bolton FAIR chemical structures in the Journal of Cheminformatics Journal of Cheminformatics Open science Open access Chemical information Cheminformatics Chemical database Chemical deposition |
author_facet |
Emma L. Schymanski Evan E. Bolton |
author_sort |
Emma L. Schymanski |
title |
FAIR chemical structures in the Journal of Cheminformatics |
title_short |
FAIR chemical structures in the Journal of Cheminformatics |
title_full |
FAIR chemical structures in the Journal of Cheminformatics |
title_fullStr |
FAIR chemical structures in the Journal of Cheminformatics |
title_full_unstemmed |
FAIR chemical structures in the Journal of Cheminformatics |
title_sort |
fair chemical structures in the journal of cheminformatics |
publisher |
BMC |
series |
Journal of Cheminformatics |
issn |
1758-2946 |
publishDate |
2021-07-01 |
description |
Abstract The ability to access chemical information openly is an essential part of many scientific disciplines. The Journal of Cheminformatics is leading the way for rigorous, open cheminformatics in many ways, but there remains room for improvement in primary areas. This letter discusses how both authors and the journal alike can help increase the FAIRness (Findability, Accessibility, Interoperability, Reusability) of the chemical structural information in the journal. A proposed chemical structure template can serve as an interoperable Additional File format (already accessible), made more findable by linking the DOI of this data file to the article DOI metadata, supporting further reuse. |
topic |
Open science Open access Chemical information Cheminformatics Chemical database Chemical deposition |
url |
https://doi.org/10.1186/s13321-021-00520-4 |
work_keys_str_mv |
AT emmalschymanski fairchemicalstructuresinthejournalofcheminformatics AT evanebolton fairchemicalstructuresinthejournalofcheminformatics |
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1721308820786905088 |