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2 Newest Publications about the topic electronic laboratory notebooks

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Creating Context for the Experiment Record. User-Defined Metadata: Investigations into Metadata Usage in the LabTrove ELN

25-Nov-2014 | Cerys Willoughby; Colin L. Bird; Simon J. Coles; Jeremy G. Frey, Journal of Chemical Information and Modeling, 2014

The drive toward more transparency in research, the growing willingness to make data openly available, and the reuse of data to maximize the return on research investment all increase the importance of being able to find information and make links to the underlying data. The use of metadata in ...

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Mining Electronic Laboratory Notebooks: Analysis, Retrosynthesis, and Reaction Based Enumeration

15-Jun-2012 | Clara D. Christ; Matthias Zentgraf; Jan M. Kriegl, Journal of Chemical Information and Modeling, 2012

An approach to automatically analyze and use the knowledge contained in electronic laboratory notebooks (ELNs) has been developed. Reactions were reduced to their reactive center and converted to a string representation (SMIRKS) which formed the basis for reaction classification and in silico ...

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