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Data-Driven Compound Identification in Atmospheric Mass Spectrometry.
Adv Sci (Weinh). 2024 Feb;11(8):e2306235. doi: 10.1002/advs.202306235. Epub 2023 Dec 14.
Adv Sci (Weinh). 2024.
PMID: 38095508
Free PMC article.
Chemical reaction enhanced graph learning for molecule representation.
Li A, Casiraghi E, Rousu J.
Li A, et al.
Bioinformatics. 2024 Oct 1;40(10):btae558. doi: 10.1093/bioinformatics/btae558.
Bioinformatics. 2024.
PMID: 39271156
Free PMC article.
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Learning symmetry-aware atom mapping in chemical reactions through deep graph matching.
Astero M, Rousu J.
Astero M, et al.
J Cheminform. 2024 Apr 22;16(1):46. doi: 10.1186/s13321-024-00841-0.
J Cheminform. 2024.
PMID: 38650016
Free PMC article.
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