BiophysicsJournal of Chemical Information and ModelingPeer-reviewed
Harmonizing Peak Matching Between Multidimensional NMR Spectra
Anthony C. Bishop, Kyle Mimun, Weimin Tan…·A. Joshua Wand
This paper develops an algorithm to automate cross-peak matching between multidimensional NMR spectra by modeling deviations as a distribution of noise and true shifts, using Bayesian inference to provide confidence estimates.
DOI 10.1021/acs.jcim.6c00627