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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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Detalhes bibliográficos
Publicado no:Sci Data
Main Authors: Dashti, Hesam, Wedell, Jonathan R., Westler, William M., Markley, John L., Eghbalnia, Hamid R.
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2019
Assuntos:
Acesso em linha: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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