Deep Learning-Enabled MS/MS Spectrum Prediction Facilitates Automated Identification Of Novel Psychoactive Substances.

Wang F, Pasin D, Skinnider MA, Liigand J, Kleis JN, Brown D, Oler E, Sajed T, Gautam V, Harrison S, Greiner R, Foster LJ, Dalsgaard PW, Wishart DS.  (Anal Chem. 2023 Dec 19;95(50):18326-18334. doi: 10.1021/acs.analchem.3c02413. Epub 2023 Dec 4. PMID: 38048435; PMCID: PMC10733899.)