HIGHLIGHTS
- who: January and colleagues from the Universidade Federal Santa Maria, Brazil have published the article: Machine learning in computational NMR-aided structural elucidation, in the Journal: (JOURNAL)
- what: On assessing the evolution of ML applied in the field of NMR, one can be totally optimistic towards the results that will certainly appear in the coming years.
- how: As expected better results were obtained with aSLATM and FCHL (which involve 3-body interactions) than CM (2-body interactions). As expected the best overall results were obtained with the most accurate chemical shift predictions tested . . .
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