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

• Research unit: INNOSUISSE
• Project number: 44786.1 IP-ENG

Short description (German)

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

Short description (English)

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

Abstract (German)

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.