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Evaluating the generalizability of graph neural networks for predicting collision cross section.
J Cheminform. 2024 Aug 29;16(1):105. doi: 10.1186/s13321-024-00899-w.
J Cheminform. 2024.
PMID: 39210378
Free PMC article.
Weighting Low-Intensity MS/MS Ions and m/z Frequency for Spectral Library Annotation.
Engler Hart C, Kind T, Dorrestein PC, Healey D, Domingo-Fernández D.
Engler Hart C, et al.
J Am Soc Mass Spectrom. 2024 Feb 7;35(2):266-274. doi: 10.1021/jasms.3c00353. Epub 2024 Jan 25.
J Am Soc Mass Spectrom. 2024.
PMID: 38271611
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On the correspondence between the transcriptomic response of a compound and its effects on its targets.
Engler Hart C, Ence D, Healey D, Domingo-Fernández D.
Engler Hart C, et al.
BMC Bioinformatics. 2023 May 19;24(1):207. doi: 10.1186/s12859-023-05337-6.
BMC Bioinformatics. 2023.
PMID: 37208587
Free PMC article.
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