AcepKa: Thermodynamics-Informed pKa Prediction and Protonation-State Generation in PlayMolecule AI.

Pesce F, Farr SE, De Fabritiis G

DOI: 10.1021/acs.jcim.6c03037
Published: 2026 Oct 26
Container: Journal of chemical information and modeling
Publisher: Not recorded
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jcim.6c03037,
  title = {AcepKa: Thermodynamics-Informed pKa Prediction and Protonation-State Generation in PlayMolecule AI.},
  author = {Pesce F and Farr SE and De Fabritiis G},
  year = {2026},
  journal = {Journal of chemical information and modeling},
  doi = {10.1021/acs.jcim.6c03037},
  url = {https://doi.org/10.1021/acs.jcim.6c03037}
}

RIS

TY  - JOUR
TI  - AcepKa: Thermodynamics-Informed pKa Prediction and Protonation-State Generation in PlayMolecule AI.
AU  - Pesce F
AU  - Farr SE
AU  - De Fabritiis G
PY  - 2026
JO  - Journal of chemical information and modeling
DO  - 10.1021/acs.jcim.6c03037
UR  - https://doi.org/10.1021/acs.jcim.6c03037
ER  -

APA

F, P., SE, F., & G, D. F. (2026). AcepKa: Thermodynamics-Informed pKa Prediction and Protonation-State Generation in PlayMolecule AI.. Journal of chemical information and modeling. https://doi.org/10.1021/acs.jcim.6c03037

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pubmed · retrieved 2026-11-10T12:24:38.414Z