Program that automatically interprets NMR spectra is boon for structure elucidation BY HANNAH KERR6 APRIL 2020

https://www.chemistryworld.com/news/program-that-automatically-interprets-nmr-spectra-is-boon-for-structure-elucidation/4011467.article?utm_source=Nature+Briefing&utm_campaign=5806810d18-briefing-dy-20200415&utm_medium=email&utm_term=0_c9dfd39373-5806810d18-44992633

Chemists embrace NMR shortcut

Open-source machine-learning can now cut the time it takes to complete certain chemical analyses from eight hours to one minute. The software tool, called DP4-AI, takes nuclear magnetic resonance (NMR) data and automatically suggests the most probable structure from a set of candidates. The tool’s creators say chemists shouldn’t worry that automation will lead them to lose their skills in teasing out what their spectra show. “Calculators have not stopped people doing arithmetic, but rather have allowed people to perform complex arithmetic more quickly and accurately,” says synthetic-chemist Jonathan Goodman.

Chemistry World | 4 min readReference: Chemical Science paper