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

• Unité de recherche: INNOSUISSE
• Numéro de projet: 44786.1 IP-ENG
• Titre du projet anglais: Prediction of the spin system of small molecules from high-resolution liquid NMR spectra with the use of machine learning

Description succincte (Allemand)

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

Description succincte (Anglais)

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

Résumé des résultats (Abstract) (Allemand)

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.