MolDiscovery: learning mass spectrometry fragmentation of small molecules

A large number of mass spectra from different samples have been collected, and to identify small molecules from these spectra, database searches are needed, which is challenging. Here, the authors report molDiscovery, a mass spectral database search method that uses an algorithm to generate mass spe...

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Bibliographic Details
Main Authors: Liu Cao, Mustafa Guler, Azat Tagirdzhanov, Yi-Yuan Lee, Alexey Gurevich, Hosein Mohimani
Format: article
Language:EN
Published: Nature Portfolio 2021
Subjects:
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Online Access:https://doaj.org/article/b5736e082df741b58ccc64d2ef165635
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