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

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 optimized for purpose. We...

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Bibliographic Details
Published in:Journal of chemical information and modeling 2014-10, Vol.54 (10), p.2627-2635
Main Authors: Harvey, Matthew J, Mason, Nicholas J, Rzepa, Henry S
Format: Article
Language:English
Subjects:
Automatic Data Processing
Chemistry
Chemistry - instrumentation
Chemistry - methods
Data Mining
Digital Object Identifier
Electronic publishing
Humans
Information Storage and Retrieval
Periodicals as Topic
Publishing
Visualization
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Description
Summary: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 optimized for purpose. We make use of a poorly-known feature of the handle system for assigning persistent identifiers that allows an individual data file from a larger file set to be retrieved according to its file name or its MIME type. The data objects allow facile visualization and retrieval for reuse of the data and facilitates other operations such as data mining. Examples from five recently published articles illustrate these concepts.
ISSN:1549-9596
1549-960X
DOI:10.1021/ci500302p