Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modeling.

Fallani A, Nugmanov R, Arjona-Medina J, Wegner JK, Tkatchenko A, Chernichenko K

DOI: 10.1186/s13321-025-00970-0
Published: 2025 Feb 27
Container: Journal of cheminformatics
Publisher: Not recorded
Open access: yes

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BibTeX

@article{allodium:10.1186/s13321-025-00970-0,
  title = {Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modeling.},
  author = {Fallani A and Nugmanov R and Arjona-Medina J and Wegner JK and Tkatchenko A and Chernichenko K},
  year = {2025},
  journal = {Journal of cheminformatics},
  doi = {10.1186/s13321-025-00970-0},
  url = {https://doi.org/10.1186/s13321-025-00970-0}
}

RIS

TY  - JOUR
TI  - Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modeling.
AU  - Fallani A
AU  - Nugmanov R
AU  - Arjona-Medina J
AU  - Wegner JK
AU  - Tkatchenko A
AU  - Chernichenko K
PY  - 2025
JO  - Journal of cheminformatics
DO  - 10.1186/s13321-025-00970-0
UR  - https://doi.org/10.1186/s13321-025-00970-0
ER  -

APA

A, F., R, N., J, A., JK, W., A, T., & K, C. (2025). Pretraining graph transformers with atom-in-a-molecule quantum properties for improved ADMET modeling.. Journal of cheminformatics. https://doi.org/10.1186/s13321-025-00970-0

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pubmed · retrieved 2026-09-25T20:50:50.698Z