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Blind trials of computer-assisted structure elucidation software

BACKGROUND: One of the largest challenges in chemistry today remains that of efficiently mining through vast amounts of data in order to elucidate the chemical structure for an unknown compound. The elucidated candidate compound must be fully consistent with the data and any other competing candidat...

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Autors principals: Moser, Arvin, Elyashberg, Mikhail E, Williams, Antony J, Blinov, Kirill A, DiMartino, Joseph C
Format: Artigo
Idioma:Inglês
Publicat: BioMed Central 2012
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3349476/
https://ncbi.nlm.nih.gov/pubmed/22321892
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-4-5
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