Machine Learning for Absolute Quantification of Unidentified Compounds in Non-Targeted LC/HRMS

LC/ESI/HRMS is increasingly employed for monitoring chemical pollutants in water samples, with non-targeted analysis becoming more common. Unfortunately, due to the lack of analytical standards, non-targeted analysis is mostly qualitative. To remedy this, models have been developed to evaluate the r...

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Bibliographic Details
Main Authors: Emma Palm, Anneli Kruve
Format: Article
Language:English
Published: MDPI AG 2022-02-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/27/3/1013