Abstract
The discoverability and reusability of data is critical for machine learning to drive new discovery in the chemical sciences, and the ‘FAIR Guiding Principles for scientific data management and stewardship’ provide a measurable set of guidelines that can be used to ensure the accessibility of reusable data. We investigate the data practice of researchers publishing in specialist organic chemistry journals, by analysing the outputs of 240 randomly selected research papers from 12 top-ranked journals published in early 2023. We investigate compliance with recommended (but not compulsory) data policies, assess the accessibility and reusability of data, and if the existence of specific recommendations for publishing NMR data by some journals supports author compliance. We find that, although authors meet mandated requirements, there is very limited compliance with data sharing policies that are only recommended by journals. Overall, there is little evidence to suggest that authors’ publishing practice meets FAIR data guidance.
Supplementary materials
Title
Supplementary Information
Description
Criteria for journal and article selection.
R code for journal sampling.
Article assessment criteria.
Description of the supporting data package.
Creating a README file.
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Supplementary weblinks
Title
Data package
Description
Article selection code script.
Variables and response coding.
Links to minimum information checklists, recommendations, and standards (including open file formats and repositories) for the main data types relevant to organic chemists.
License conditions.
Supplementary Information with further details of the study methods.
CSV file directory .
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