Development of a Machine Learning Algorithm for Drug Screening Analysis on High-Resolution UPLC-MSE/QTOF Mass Spectrometry.

Ying HaoKara L LynchPengcheng FanChristopher JurtschenkoMaria CidZhen ZhaoHe S Yang

Published in: The journal of applied laboratory medicine (2023)

The MLR model incorporating all contributing parameters can serve as a decision-support tool to facilitate objective drug identification using UPLC-MSE/QTOF.

Keyphrases

machine learning
high resolution
mass spectrometry
ms ms
simultaneous determination
liquid chromatography
deep learning
adverse drug
high performance liquid chromatography
tandem mass spectrometry
big data
capillary electrophoresis
neural network
data analysis