Direct deduction of chemical class from NMR spectra

1 code implementation • 6 Nov 2022 • Stefan Kuhn, Carlos Cobas, Agustin Barba, Simon Colreavy-Donnelly, Fabio Caraffini, Ricardo Moreira Borges

This paper presents a proof-of-concept method for classifying chemical compounds directly from NMR data without doing structure elucidation.

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