ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification across the Periodic Table

Jacob W. Toney, Samir Darouich, Yiran Wang, Aaron G. Garrison, Johannes Kästner, Heather J. Kulik

Open source

DOI
10.1021/acs.jcim.6c02178
Published
2026-10-01
Container
Journal of Chemical Information and Modeling
Publisher
American Chemical Society (ACS)
Open access
unknown

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BibTeX

@article{allodium:10.1021/acs.jcim.6c02178,
  title = {ElemeNet: Multiscale
Molecular Machine Learning with
Uncertainty Quantification across the Periodic Table},
  author = {Jacob W. Toney and Samir Darouich and Yiran Wang and Aaron G. Garrison and Johannes Kästner and Heather J. Kulik},
  year = {2026},
  journal = {Journal of Chemical Information
and Modeling},
  doi = {10.1021/acs.jcim.6c02178},
  url = {https://doi.org/10.1021/acs.jcim.6c02178}
}

RIS

TY  - JOUR
TI  - ElemeNet: Multiscale
Molecular Machine Learning with
Uncertainty Quantification across the Periodic Table
AU  - Jacob W. Toney
AU  - Samir Darouich
AU  - Yiran Wang
AU  - Aaron G. Garrison
AU  - Johannes Kästner
AU  - Heather J. Kulik
PY  - 2026
JO  - Journal of Chemical Information
and Modeling
DO  - 10.1021/acs.jcim.6c02178
UR  - https://doi.org/10.1021/acs.jcim.6c02178
ER  - 

APA

Toney, J. W., Darouich, S., Wang, Y., Garrison, A. G., Kästner, J., & Kulik, H. J. (2026). ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification across the Periodic Table. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.6c02178

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