Automatic differential analysis of NMR experiments in complex samples

• Published in: Magnetic resonance in chemistry Vol. 56; no. 6; pp. 469 - 479
• Main Authors: Margueritte, Laure, Markov, Petar, Chiron, Lionel, Starck, Jean‐Philippe, Vonthron‐Sénécheau, Catherine, Bourjot, Mélanie, Delsuc, Marc‐André
• Format: Journal Article
• Language: English
• Published: England Wiley Subscription Services, Inc 01.06.2018; Wiley
• Subjects: Analytical chemistry; automatic processing; Avalanches; Chemical Sciences; Experiments; Life Sciences; Medicinal Chemistry; mixture analysis; Molecular chains; Natural products; NMR; Nuclear magnetic resonance; Pharmaceutical sciences; Plants (botany); recursive feature elimination; Signal processing; Software; spectral fingerprint; Spectrum analysis; automatic processing; mixture analysis; recursive feature elimination; spectral fingerprint

Liquid state nuclear magnetic resonance (NMR) is a powerful tool for the analysis of complex mixtures of unknown molecules. This capacity has been used in many analytical approaches: metabolomics, identification of active compounds in natural extracts, and characterization of species, and such studi...