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Chemical ITChemical Sciences

Data base or Data repository? – A brief and very selective history of data management in chemistry.

https://doi.org/10.59350/tsmqs-gef18

Published January 26, 2022 in Henry Rzepa's Blog

Author Henry Rzepa

Way back in the late 1980s or so, research groups in chemistry started to replace the filing of their paper-based research data by storing it in an easily retrievable digital form. This required a computer database and initially these were accessible only on specific dedicated computers in the laboratory.

References

CommunicationLibrary and Information Sciences

Beyond data: Sharing related research outputs to make data reusable

https://doi.org/10.1002/leap.1429

Published January 1, 2022 in Learned Publishing

Authors Helena Cousijn, Ted Habermann, Elizabeth Krznarich, Alice Meadows

A data‐oriented approach to making new molecules as a student experiment: artificial intelligence‐enabling FAIR publication of NMR data for organic esters

https://doi.org/10.1002/mrc.5186

Published June 16, 2021 in Magnetic Resonance in Chemistry

Authors Henry S. Rzepa, Stefan Kuhn

Digital Data Repositories in Chemistry and Their Integration with Journals and Electronic Notebooks

https://doi.org/10.1021/ci500302p

Published September 15, 2014 in Journal of Chemical Information and Modeling

Authors Matthew J. Harvey, Nicholas J. Mason, Henry S. Rzepa

Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

https://doi.org/10.1021/ci990052b

Published September 18, 1999 in Journal of Chemical Information and Computer Sciences

Authors Peter Murray-Rust, Henry S. Rzepa