Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Schymanski, Emma L., Bolton, Evan E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
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
Descripción
Sumario: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.