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MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra

<p>Data set associated with:</p> <p>Mrzic, A. et al. MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra. bioRxiv (2017). doi:10.1101/134189</p> <p>This data set is provided by Janssen Pharmaceutica. It consists of known standard pharmaceutical compounds for which high quality Q-Exactive MS/MS data is provided. The data set contain drugs ranging from antifungal and antipsychotic agents to inhibitors of the hepatitis C virus and a compound that slows down progression of Alzheimer&#39;s disease.</p>

ShareScore

36/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
8
Engagement
4