Metabolomics WorkBench Compound Dictionary
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mwTAB file for each study in the Metabolomics Workbench (https://www.metabolomicsworkbench.org/) was processed through an automated data merging pipeline. It yielded - ~148,403 unique chemical names ~12,000 PubChem CIDs ~13000 KEGG IDs ~5000 CAS Numbers ~4200 HMDB IDs - 121 unique species - 136 unique sample type ~77K chemical names still need to be curated and linked with appropriate chemical identifiers. - 6800 unique chemical names for human blood studies ~1400 unique chemical names reported for > 10 human blood studies Note: workbench_curated_compound_list.csv contains some of the curated compound names. Basic curation has happened to connect metabolites names to PubChem identifiers.
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Zenodo创建时间：
2022-12-23
