Prediction of the spin system of small molecules from high-resolution liquid NMR spectra with the use of machine learning

• Forschungsstelle: INNOSUISSE
• Projektnummer: 44786.1 IP-ENG
• Projekttitel Englisch: Prediction of the spin system of small molecules from high-resolution liquid NMR spectra with the use of machine learning

Kurzbeschreibung (Deutsch)

Prediction of the spin system of small molecules from high-resolution liquid NMR spectra with the use of machine learning

Kurzbeschreibung (Englisch)

Prediction of the spin system of small molecules from high-resolution liquid NMR spectra with the use of machine learning

Abstract (Deutsch)

The goal of this project is to make NMR spectroscopy available to a wider range of applications by the automation of data reduction and analysis steps, in particular by combining deep learning methods for the extraction and a Bayesian approach for the integration and refinement of information.