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MassGenie: A Transformer-Based Deep Learning Method for Identifying Small Molecules from Their Mass Spectra.
Biomolecules. 2021 Nov 30;11(12):1793. doi: 10.3390/biom11121793.
Biomolecules. 2021.
PMID: 34944436
Free PMC article.
FragNet, a Contrastive Learning-Based Transformer Model for Clustering, Interpreting, Visualizing, and Navigating Chemical Space.
Shrivastava AD, Kell DB.
Shrivastava AD, et al.
Molecules. 2021 Apr 3;26(7):2065. doi: 10.3390/molecules26072065.
Molecules. 2021.
PMID: 33916824
Free PMC article.
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