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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Auteurs principaux: Liu Cao, Mustafa Guler, Azat Tagirdzhanov, Yi-Yuan Lee, Alexey Gurevich, Hosein Mohimani
Format: article
Langue:EN
Publié: Nature Portfolio 2021
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Accès en ligne:https://doaj.org/article/b5736e082df741b58ccc64d2ef165635
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