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Unique identifiers for small molecules enable rigorous labeling of their atoms

Rigorous characterization of small organic molecules in terms of their structural and biological properties is vital to biomedical research. The three-dimensional structure of a molecule, its ‘photo ID’, is inefficient for searching and matching tasks. Instead, identifiers play a key role in accessi...

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Détails bibliographiques
Publié dans:Sci Data
Auteurs principaux: Dashti, Hesam, Westler, William M., Markley, John L., Eghbalnia, Hamid R.
Format: Artigo
Langue:Inglês
Publié: Nature Publishing Group 2017
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC5441290/
https://ncbi.nlm.nih.gov/pubmed/28534867
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/sdata.2017.73
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