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A machine learning approach for handling big data produced by high resolution mass spectrometry after data independent acquisition of small molecules - Proof of concept study using an artificial neural network for sample classification.

Drug testing and analysis Feb 6, 2020
Liquid chromatography coupled to high-resolution mass spectrometry (HRMS) enables data independent acquisition (DIA) and untargeted screening. However, to avoid the handling of the resulting large dataset, most laboratories in that field still use ta...
Humans Neural Networks, Computer Machine Learning Reproducibility of Results Sensitivity and Specificity Big Data Mass Spectrometry Chromatography, Liquid Substance Abuse Detection Proof of Concept Study Small Molecule Libraries Cocaine Zolpidem
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