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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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Detalles Bibliográficos
Autores principales: Dashti, Hesam, Westler, William M., Markley, John L., Eghbalnia, Hamid R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5441290/
https://www.ncbi.nlm.nih.gov/pubmed/28534867
http://dx.doi.org/10.1038/sdata.2017.73