Artificial Intelligence for Mass Spectrometry and Nuclear Magnetic Resonance Spectroscopy Using a Novel Data Augmentation Method

Florian Fricke,Marcelo Brandalero,Sascha Liehr,Simon Kern,Klas Meyer,Stefan Kowarik,Robin Hierzegger, Stephan Westerdick,Michael Maiwald,Michael Hübner

IEEE Transactions on Emerging Topics in Computing（2022）

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摘要

Mass Spectrometry (MS) and Nuclear Magnetic Resonance Spectroscopy (NMR) are valuable analytical and quality control methods for most industrial chemical processes as they provide information on the concentrations of individual compounds and by-products. These processes are traditionally carried out manually and by a specialist, which takes a substantial amount of time and prevents their utilizati...

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关键词

Nuclear magnetic resonance,Chemicals,Process control,Quality control,Ions,Chemical processes,Production

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