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...
Saved in:
Main Authors: | Liu Cao, Mustafa Guler, Azat Tagirdzhanov, Yi-Yuan Lee, Alexey Gurevich, Hosein Mohimani |
---|---|
Format: | article |
Language: | EN |
Published: |
Nature Portfolio
2021
|
Subjects: | |
Online Access: | https://doaj.org/article/b5736e082df741b58ccc64d2ef165635 |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Two-Dimensional Partial-Covariance Mass Spectrometry of Large Molecules Based on Fragment Correlations
by: Taran Driver, et al.
Published: (2020) -
Metabolic Fingerprints from the Human Oral Microbiome Reveal a Vast Knowledge Gap of Secreted Small Peptidic Molecules
by: Anna Edlund, et al.
Published: (2017) -
Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery
by: Lyra Chang, et al.
Published: (2021) -
Identifying molecules as biosignatures with assembly theory and mass spectrometry
by: Stuart M. Marshall, et al.
Published: (2021) -
Fragment-based discovery of a new family of non-peptidic small-molecule cyclophilin inhibitors with potent antiviral activities
by: Abdelhakim Ahmed-Belkacem, et al.
Published: (2016)