Interpretable Machine Learning-based Automated HPLC/MS 2 Platform using Ion-Molecule Reactions for the Identification of Functionalities in Analytes
Authors:
- Armen G. BeckABArmen G. Beck
- Ruth AnyaecheRARuth Anyaeche
- Prageeth WijewardhanePWPrageeth Wijewardhane
- Sanjay IyerSISanjay Iyer
- Yue FuYFYue Fu
- Judy Kuan-Yu LiuJLJudy Kuan-Yu Liu
- Jifa ZhangJZJifa Zhang
- Kawthar AlzarieniKAKawthar Alzarieni
- Erlu FengEFErlu Feng
- Ryan T HilgerRHRyan T Hilger
- Christopher J WelchCWChristopher J Welch
- Hilkka I. KenttamaaHKHilkka I. Kenttamaa
Open Access
- 1 January 2026
- journal article
- Published by Royal Society of Chemistry (RSC) in Chemical Science
Abstract
Identification of unknown compounds in complex mixtures is a time-consuming and challenging problem in several areas of chemistry. High-performance liquid chromatography (HPLC) coupled to tandem mass spectrometry (MS2) based on...Keywords
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