Improving Phase and Baseline Correction: An Extended Algorithm for 1D NMR Spectra in TopSpin 5
Leila Mohammadzadeh, Manuel Cordova, M. Fey et al.
· 0 citations
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Open access
Aug 2026
MolDeTr: A Chemistry-Informed Deep Learning Model for Next-Generation Automated Analysis of 1H NMR Spectra
MolDeTr addresses the spectrum-conditioned inverse problem and extracts spin-system parameters directly from measured 1D 1H NMR spectra, thereby substantially improving chemical-shift prediction precision by one to 2 orders of magnitude compared to existing structure-conditioned approaches.
N. Schmid, Marc Wanner, G. Fischetti et al.
· Analytical Chemistry · 1 citation