Chemically Interpretable Explanations for Molecular Property Prediction via Fragment-Level Shapley Values

Jannik P. Roth

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DOI: 10.1021/acs.jcim.6c01425
Published: 2026-08-14
Container: Journal of Chemical Information and Modeling
Publisher: American Chemical Society (ACS)
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jcim.6c01425,
  title = {Chemically Interpretable
Explanations for Molecular
Property Prediction via Fragment-Level Shapley Values},
  author = {Jannik P. Roth},
  year = {2026},
  journal = {Journal of Chemical Information
and Modeling},
  doi = {10.1021/acs.jcim.6c01425},
  url = {https://doi.org/10.1021/acs.jcim.6c01425}
}

RIS

TY  - JOUR
TI  - Chemically Interpretable
Explanations for Molecular
Property Prediction via Fragment-Level Shapley Values
AU  - Jannik P. Roth
PY  - 2026
JO  - Journal of Chemical Information
and Modeling
DO  - 10.1021/acs.jcim.6c01425
UR  - https://doi.org/10.1021/acs.jcim.6c01425
ER  -

APA

Roth, J. P. (2026). Chemically Interpretable Explanations for Molecular Property Prediction via Fragment-Level Shapley Values. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.6c01425

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crossref · retrieved 2026-11-10T12:00:31.608Z