FAIR chemical structures in the Journal of Cheminformatics
Emma Schymanski, Evan Bolton
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.
Topics & Concepts
CheminformaticsInteroperabilityComputer scienceMetadataReuseWorld Wide WebData scienceInformation retrievalBioinformaticsBiologyEcologyResearch Data Management PracticesScientific Computing and Data ManagementMetabolomics and Mass Spectrometry Studies