Published in

American Chemical Society, Journal of Chemical Information and Modeling, 10(54), p. 2627-2635, 2014

DOI: 10.1021/ci500302p

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

Journal article published in 2014 by Matthew J. Harvey ORCID, Nicholas J. Mason ORCID, Henry S. Rzepa
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

We discuss the concept of recasting the data-rich scientific journal article into two components, a narrative and separate data components, each of which is assigned a persistent digital object identifier. Doing so allows each of these components to exist in an environment optimised for purpose. We make use of a poorly-known feature of the handle system for assigning persistent identifiers which allows an individual datafile from a larger fileset to be retrieved according to its file-name or its MIME type. The data objects allow facile visualisation and retrieval for re-use of the data, and facilitates other operations such as data mining. Examples from five recently published articles illustrate these concepts.