DOI10.5281/zenodo.3403530Zenodo3403530MaRDI QIDQ6705528FDOQ6705528
Dataset published at Zenodo repository.
Emma Schymanski, Michael Witting
Publication date: 9 September 2019
Copyright license: Creative Commons Attribution 4.0 International
This is a local CSV file of WormJam (https://www.tandfonline.com/doi/full/10.1080/21624054.2017.1373939) for MetFrag (https://msbi.ipb-halle.de/MetFrag/). The text file provided by Michael (also part of this dataset) was modified into CSV by adding identifiers and adjusting headers for MetFrag import. This CSV file is for users wanting to integrate WormJam into MetFrag CL workflows (offline), this file will be integrated into MetFrag online; please use the file in the dropdown menu rather than uploading this one. Update 10 Sept 2019: curated truncated InChIKey, InChI entries, added missing SMILES, added DTXSIDs by InChIKey match.
This page was built for dataset: WormJam Metabolites Local CSV for MetFrag
