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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Main Authors: Emma L. Schymanski, Evan E. Bolton
Format: Article
Language:English
Published: BMC 2021-07-01
Series:Journal of Cheminformatics
Subjects:
Online Access:https://doi.org/10.1186/s13321-021-00520-4
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spelling 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
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