A pilot study for fragment identification using 2D NMR and deep learning.

Autor: Kuhn, Stefan, Tumer, Eda, Colreavy‐Donnelly, Simon, Moreira Borges, Ricardo

Publikováno v: Magnetic Resonance in Chemistry; Nov2022, Vol. 60 Issue 11, p1052-1060, 9p

Variable Data Independent Acquisition and Data Mining Exploring Feature-Based Molecular Networking Analysis for Untargeted Screening of Synthetic Cannabinoids in Oral Fluid.

Autor: de Albuquerque Cavalcanti G; Brazilian Doping Control Laboratory (LBCD), Chemistry Institute, Federal University of Rio de Janeiro (UFRJ), 21941-598 Rio de Janeiro, RJ, Brazil., Moreira Borges R; Walter Mors Institute of Research on Natural Products (IPPN), Federal University of Rio de Janeiro (UFRJ), 21941-902 Rio de Janeiro, RJ, Brazil., Reis Alves Carneiro G; Brazilian Doping Control Laboratory (LBCD), Chemistry Institute, Federal University of Rio de Janeiro (UFRJ), 21941-598 Rio de Janeiro, RJ, Brazil., Costa Padilha M; Brazilian Doping Control Laboratory (LBCD), Chemistry Institute, Federal University of Rio de Janeiro (UFRJ), 21941-598 Rio de Janeiro, RJ, Brazil., Gualberto Pereira HM; Brazilian Doping Control Laboratory (LBCD), Chemistry Institute, Federal University of Rio de Janeiro (UFRJ), 21941-598 Rio de Janeiro, RJ, Brazil.

Publikováno v: Journal of the American Society for Mass Spectrometry [J Am Soc Mass Spectrom] 2021 Sep 01; Vol. 32 (9), pp. 2417-2424. Date of Electronic Publication: 2021 Aug 16.