MetAssimulo 2.0: a web app for simulating realistic 1D & 2D Metabolomic 1H NMR spectra
 

MetAssimulo 2.0: a web app for simulating realistic 1D & 2D Metabolomic 1H NMR spectra

Metabolomics extensively utilizes Nuclear Magnetic Resonance (NMR) spectroscopy due to its excellent reproducibility and high throughput. Both one-dimensional (1D) and two-dimensional (2D) NMR spectra provide crucial information for metabolite annotation and quantification, yet present complex overlapping patterns which may require sophisticated machine learning algorithms to decipher. Unfortunately, the limited availability of labeled spectra can hamper application of machine learning,...

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