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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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Bibliografiska uppgifter
I publikationen:Sci Data
Huvudupphovsmän: Dashti, Hesam, Westler, William M., Markley, John L., Eghbalnia, Hamid R.
Materialtyp: Artigo
Språk:Inglês
Publicerad: Nature Publishing Group 2017
Ämnen:
Länkar: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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