FAIR chemical structures in the Journal of Cheminformatics

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 an...

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Detalles Bibliográficos
Autores principales: Schymanski, Emma L., Bolton, Evan E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Letter to the Editor
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8262078/
https://www.ncbi.nlm.nih.gov/pubmed/34229711
http://dx.doi.org/10.1186/s13321-021-00520-4
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author Schymanski, Emma L.
Bolton, Evan E.
author_facet Schymanski, Emma L.
Bolton, Evan E.
author_sort Schymanski, Emma L.
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description 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. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s13321-021-00520-4.
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spelling pubmed-82620782021-07-08 FAIR chemical structures in the Journal of Cheminformatics Schymanski, Emma L. Bolton, Evan E. J Cheminform Letter to the Editor 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. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s13321-021-00520-4. Springer International Publishing 2021-07-07 /pmc/articles/PMC8262078/ /pubmed/34229711 http://dx.doi.org/10.1186/s13321-021-00520-4 Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/ (https://creativecommons.org/publicdomain/zero/1.0/) ) applies to the data made available in this article, unless otherwise stated in a credit line to the data.
spellingShingle Letter to the Editor
Schymanski, Emma L.
Bolton, Evan E.
FAIR chemical structures in the Journal of Cheminformatics
title 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_short FAIR chemical structures in the Journal of Cheminformatics
title_sort fair chemical structures in the journal of cheminformatics
topic Letter to the Editor
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8262078/
https://www.ncbi.nlm.nih.gov/pubmed/34229711
http://dx.doi.org/10.1186/s13321-021-00520-4
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