Archive for June 11th, 2024

Data Discoverability as a feature of Journal Articles.

Tuesday, June 11th, 2024

I can remember a time when journal articles carried selected data within their body as e.g. Tables, Figures or Experimental procedures, with the rest consigned to a box of paper deposited (for UK journals) at the British library. Then came ESI or electronic supporting information. Most recently, many journals are now including what is called a “Data availability” statement at the end of an article, which often just cites the ESI, but can increasingly  point to so-called FAIR data. The latter is especially important in the new AI-age (“FAIR is AI-Ready”). One attribute of FAIR data is that it can be associated with a DOI in addition to that assigned to the article itself, and we have been promoting the inclusion of that Data DOI in the citation list of the article.[1] Since the data can also cite the article, a bidirectional link between data and article is established. ESI itself can exceed 1000 “pages” of a PDF document and examples of chemical FAIR data exceeding 62 Gbytes[2] (Also see DOI: 10.14469/hpc/10386) are known. Finding the chemical needle in that data haystack can become a serious problem. So here I illustrate a recent suggestion for moving to the next stage, namely the inclusion of a “Data Availability and Discovery” statement. The below is the text of such a statement in a recently published article.[3]

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References

  1. H. Rzepa, "The journey from Journal “ESI” to FAIR data objects: An eighteen year old (continuing) experiment.", 2023. https://doi.org/10.59350/g2p77-78m14
  2. T. Mies, A.J.P. White, H.S. Rzepa, L. Barluzzi, M. Devgan, R.A. Layfield, and A.G.M. Barrett, "Syntheses and Characterization of Main Group, Transition Metal, Lanthanide, and Actinide Complexes of Bidentate Acylpyrazolone Ligands", Inorganic Chemistry, vol. 62, pp. 13253-13276, 2023. https://doi.org/10.1021/acs.inorgchem.3c01506
  3. D.C. Braddock, S. Lee, and H.S. Rzepa, "Modelling kinetic isotope effects for Swern oxidation using DFT-based transition state theory", Digital Discovery, vol. 3, pp. 1496-1508, 2024. https://doi.org/10.1039/d3dd00246b

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