Artificial Intelligence in NMR

The rapid expansion of computing capabilities since the turn of the century has set the stage for the latest evolution of NMR, particularly with the utilization of artificial intelligence (AI), machine learning (ML), and deep learning.

These techniques are allowing scientists to automate complex and time-consuming tasks making NMR more efficient.

In this article we have described how AI and ML are transforming the way scientists can access and analyze data.  

Deep Learning for NMR Spectra Analysis

A team of Bruker scientists recently introduced a deep learning-based method for phase and baseline correction of 1D 1H NMR spectra. The algorithm consistently provides better correction of phase and baseline both for low- and high-field spectra, even reaching human-level quality results in phase correction accuracy.

Organocatalysis – a chemical revolution assisted by NMR

Although catalysis as a concept has been around for centuries, the field continues to evolve, with a major landmark being the award of the 2021 Nobel Prize for Chemistry to Prof. Dr. Benjamin List and Prof. David MacMillan for their work on asymmetric organocatalysis.

In this article, we describe how this field has developed in the 20 years since it was discovered and highlight the special role that nuclear magnetic resonance (NMR) has played in helping List and MacMillan’s teams unlock the potential of organocatalysts to make chemical transformations more environmentally friendly.