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“Ask Ernö”: a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra

BACKGROUND: We present “Ask Ernö”, a self-learning system for the automatic analysis of NMR spectra, consisting of integrated chemical shift assignment and prediction tools. The output of the automatic assignment component initializes and improves a database of assigned protons that is used by the c...

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Detalles Bibliográficos
Autores principales: Castillo, Andrés M., Bernal, Andrés, Dieden, Reiner, Patiny, Luc, Wist, Julien
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4858875/
https://www.ncbi.nlm.nih.gov/pubmed/27158267
http://dx.doi.org/10.1186/s13321-016-0134-6