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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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Publicado en:Sci Data
Autores principales: Dashti, Hesam, Westler, William M., Markley, John L., Eghbalnia, Hamid R.
Formato: Artigo
Lenguaje:Inglês
Publicado: Nature Publishing Group 2017
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Acceso en línea: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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