Fundamental and practical aspects of machine learning for the peak picking of biomolecular NMR spectra
 

Fundamental and practical aspects of machine learning for the peak picking of biomolecular NMR spectra

Rapid progress in machine learning offers new opportunities for the automated analysis of multidimensional NMR spectra ranging from protein NMR to metabolomics applications. Most recently, it has been demonstrated how deep neural networks (DNN) designed for spectral peak picking are capable of deconvoluting highly crowded NMR spectra rivaling the facilities of human experts. Superior DNN-based peak picking is one of a series of critical steps during NMR spectral processing, analysis, and...

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