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A new method for the comparison of (1)H NMR predictors based on tree-similarity of spectra

A methodology based on spectral similarity is presented that allows to compare NMR predictors without the recourse to assigned experimental spectra, thereby making the task of benchmarking NMR predictors less tedious, faster, and less prone to human error. This approach was used to compare four popu...

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Detalhes bibliográficos
Main Authors: Castillo, Andrés M, Bernal, Andrés, Patiny, Luc, Wist, Julien
Formato: Artigo
Idioma:Inglês
Publicado em: BioMed Central 2014
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3987679/
https://ncbi.nlm.nih.gov/pubmed/24666427
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1758-2946-6-9
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