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Automated evaluation of consistency within the PubChem Compound database

Identification of discrepant data in aggregated databases is a key step in data curation and remediation. We have applied the ALATIS approach, which is based on the international chemical shift identifier (InChI) model, to the full PubChem Compound database to generate unique and reproducible compou...

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Détails bibliographiques
Publié dans:Sci Data
Auteurs principaux: Dashti, Hesam, Wedell, Jonathan R., Westler, William M., Markley, John L., Eghbalnia, Hamid R.
Format: Artigo
Langue:Inglês
Publié: Nature Publishing Group 2019
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC6380220/
https://ncbi.nlm.nih.gov/pubmed/30778259
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/sdata.2019.23
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