Applying NMR compound identification using NMRfilter to match predicted to experimental data.

Stefan Kuhn Simon Colreavy-DonnellyLucas Eliseu de Andrade Silva QuaresmaEzequiel de Andrade Silva QuaresmaRicardo Moreira Borges

Published in: Metabolomics : Official journal of the Metabolomic Society (2020)

NMRfilter is currently under development to become a stand-alone interactive software for high-confidence NMR compound identification and this communication gathers part of its application capabilities.

Keyphrases

magnetic resonance
high resolution
solid state
bioinformatics analysis
electronic health record
data analysis
big data
machine learning
mass spectrometry
deep learning
artificial intelligence