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Deep learning assisted peak curation for large scale LC-MS Metabolomics

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Item Type:Preprint
Title:Deep learning assisted peak curation for large scale LC-MS Metabolomics
Creators Name:Gloaguen, Y. and Kirwan, J. and Beule, D.
Abstract:Available automated methods for peak detection in untargeted metabolomics suffer from poor precision. We present NeatMS which uses machine learning to replace peak curation by human experts. We show how to integrate our open source module into different LC-MS analysis workflows and quantify its performance. NeatMS is designed to be suitable for large scale studies and improves the robustness of the final peak list.
Source:bioRxiv
Publisher:Cold Spring Harbor Laboratory Press
Article Number:2020.08.09.242727
Date:10 August 2020
Official Publication:https://doi.org/10.1101/2020.08.09.242727

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