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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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Dades bibliogràfiques
Publicat a:Sci Data
Autors principals: Dashti, Hesam, Wedell, Jonathan R., Westler, William M., Markley, John L., Eghbalnia, Hamid R.
Format: Artigo
Idioma:Inglês
Publicat: Nature Publishing Group 2019
Matèries:
Accés en línia: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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