How to cite

Please cite the preprint:

Rajan, K.; Zielesny, A.; Steinbeck, C. Orthonym: verified IUPAC names for chemical structures in the wild. ChemRxiv 2026. doi:10.26434/chemrxiv.15009769/v1

@article{rajan2026orthonym,
  author  = {Rajan, Kohulan and Zielesny, Achim and Steinbeck, Christoph},
  title   = {{Orthonym}: verified {IUPAC} names for chemical structures in the wild},
  journal = {ChemRxiv},
  year    = {2026},
  doi     = {10.26434/chemrxiv.15009769/v1}
}

GitHub’s Cite this repository button, built from CITATION.cff, gives the same entry in APA and BibTeX.

To cite the software version you used, cite its Zenodo archive. In BibTeX:

@software{orthonym,
  author  = {Rajan, Kohulan and Zielesny, Achim and Steinbeck, Christoph},
  title   = {{Orthonym}},
  version = {1.0.9},
  year    = {2026},
  doi     = {10.5281/zenodo.23044199},
  url     = {https://github.com/Steinbeck-Lab/Orthonym}
}

Every release is archived on Zenodo. The DOI 10.5281/zenodo.23044199 stands for all versions and resolves to the newest one.

Orthonym is built on the IUPAC 2013 recommendations, OPSIN, centres and RDKit. When you describe how a name was checked, please cite them too; the references are in the README, under Built on.