Structure-based metabolite function prediction using graph neural networks
The model identified function-associated structural patterns within metabolite families, demonstrating the potential for interpretable prediction of metabolite functions from structural information.
Authors
- Janna Hastings (ORCID: https://orcid.org/0000-0002-3469-4923)
- Jacques Fellay (ORCID: https://orcid.org/0000-0002-8240-939X)
- Mariam Ait Oumelloul
- Ali Saadat (ORCID: https://orcid.org/0000-0002-1479-1304)
- Tancredi Cogne
Institutions
- SIB Swiss Institute of Bioinformatics (CH)
- University of Zurich (CH)
- University of St.Gallen (CH)
- University of Applied Sciences St. Gallen (CH)
- École Polytechnique Fédérale de Lausanne (CH)
- University of Lausanne (CH)
Publication Details
- Journal
- Bioinformatics Advances
- Published
- 2024-12-26
- DOI
- https://doi.org/10.1093/bioadv/vbaf174
- Citations
- 1
- Primary Topic
- Metabolomics and Mass Spectrometry Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.23