Can Graph Neural Networks Understand Chemical Elements?

Kyllesbech V, Poole Iii DA, Alivanistos D, Cochez M, Mouhib H, Geerke DP

DOI: 10.1021/acs.jcim.6c00384
Published: 2026 Aug 10
Container: Journal of chemical information and modeling
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jcim.6c00384,
  title = {Can Graph Neural Networks Understand Chemical Elements?},
  author = {Kyllesbech V and Poole Iii DA and Alivanistos D and Cochez M and Mouhib H and Geerke DP},
  year = {2026},
  journal = {Journal of chemical information and modeling},
  doi = {10.1021/acs.jcim.6c00384},
  url = {https://doi.org/10.1021/acs.jcim.6c00384}
}

RIS

TY  - JOUR
TI  - Can Graph Neural Networks Understand Chemical Elements?
AU  - Kyllesbech V
AU  - Poole Iii DA
AU  - Alivanistos D
AU  - Cochez M
AU  - Mouhib H
AU  - Geerke DP
PY  - 2026
JO  - Journal of chemical information and modeling
DO  - 10.1021/acs.jcim.6c00384
UR  - https://doi.org/10.1021/acs.jcim.6c00384
ER  -

APA

V, K., DA, P. I., D, A., M, C., H, M., & DP, G. (2026). Can Graph Neural Networks Understand Chemical Elements?. Journal of chemical information and modeling. https://doi.org/10.1021/acs.jcim.6c00384

Source records

pubmed · retrieved 2026-09-26T05:22:06.519Z