FAIR chemical structures in the Journal of Cheminformatics

Journal of Cheminformatics

Emma L. Schymanski¹  Evan E. Bolton² 

[1]Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 avenue du Swing, 4367, Belvaux, Luxembourg

[2]National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, 20894, Bethesda, MD, USA

关键词: Open science;    Open access;    Chemical information;    Cheminformatics;    Chemical database;    Chemical deposition;    FAIR;    Supplementary material;    Data archive;    Open repository;   

DOI  :  10.1186/s13321-021-00520-4

来源: Springer

【 摘 要 】

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.

【 授权许可】

CC BY