Applying NMR compound identification using NMRfilter to match predicted to experimental data
Stefan Kühn, Simon Colreavy‐Donnelly, Lucas Eliseu de Andrade Silva Quaresma, Ezequiel de Andrade Silva Quaresma, Ricardo M. Borges
Topics & Concepts
BottleneckIdentification (biology)MetabolomicsComputational biologySoftwareComputer scienceBioinformaticsBiologyEmbedded systemBotanyProgramming languageMetabolomics and Mass Spectrometry StudiesMolecular spectroscopy and chiralityMachine Learning in Bioinformatics