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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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Detalhes bibliográficos
Publicado no:Sci Data
Main Authors: Dashti, Hesam, Westler, William M., Markley, John L., Eghbalnia, Hamid R.
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2017
Assuntos:
Acesso em linha: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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