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Updated: Jun 4, 2025

Biosynthesis of a Flavonol from a Flavanone by Establishing a One-pot Bienzymatic Cascade
Published on: August 14, 2019
Determination of Flavonoid Glycoside Isomers Using Vision Transformer and Tandem Mass Spectrometry
Ji In Park1, Myeong Ji Kim1, Kyu Hyeong Lee1
1College of Pharmacy and Integrated Research Institute for Drug Development, Dongguk University-Seoul, Goyang 10326, Republic of Korea.
Abstract:
A vision transformer (ViT)-based deep neural network was applied to classify the flavonoid glycoside isomers by analyzing electrospray ionization tandem mass spectrometry (ESI-MS/MS) spectra. Our model successfully classified the flavonoid isomers with various substitution patterns (3-O, 6-C, 7-O, 8-C, 4'-O) and multiple glycosides, achieving over 80% accuracy during training. In addition, the experimental spectra from flavonoid glycoside standards were acquired with different adducts, and our model showed robust performance regardless of the experimental conditions. As a result, the vision transformer-based computer vision model is promising for analyzing mass spectrometry data.
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