Explainable artificial intelligence reveals divergent learning in pharmacophore-based hierarchical pooling graph neural networks

Maria Julia Teja Urrutia, Andrea Mastropietro, Jürgen Bajorath

Open source

DOI
10.1038/s41598-026-59947-0
Published
2026-06-29
Container
Scientific Reports
Publisher
Springer Science and Business Media LLC
Open access
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BibTeX

@article{allodium:10.1038/s41598-026-59947-0,
  title = {Explainable artificial intelligence reveals divergent learning in pharmacophore-based hierarchical pooling graph neural networks},
  author = {Maria Julia Teja Urrutia and Andrea Mastropietro and Jürgen Bajorath},
  year = {2026},
  journal = {Scientific Reports},
  doi = {10.1038/s41598-026-59947-0},
  url = {https://doi.org/10.1038/s41598-026-59947-0}
}

RIS

TY  - JOUR
TI  - Explainable artificial intelligence reveals divergent learning in pharmacophore-based hierarchical pooling graph neural networks
AU  - Maria Julia Teja Urrutia
AU  - Andrea Mastropietro
AU  - Jürgen Bajorath
PY  - 2026
JO  - Scientific Reports
DO  - 10.1038/s41598-026-59947-0
UR  - https://doi.org/10.1038/s41598-026-59947-0
ER  - 

APA

Urrutia, M. J. T., Mastropietro, A., & Bajorath, J. (2026). Explainable artificial intelligence reveals divergent learning in pharmacophore-based hierarchical pooling graph neural networks. Scientific Reports. https://doi.org/10.1038/s41598-026-59947-0

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