To cite chemodiv in publications use:

Petrén H, Köllner TG, Junker RR (2022). “Quantifying chemodiversity considering biochemical and structural properties of compounds with the R package chemodiv.” bioRxiv. https://doi.org/10.1101/2022.06.08.495236.

Corresponding BibTeX entry:

  @Article{,
    title = {Quantifying chemodiversity considering biochemical and
      structural properties of compounds with the R package chemodiv},
    author = {Hampus Petrén and Tobias G. Köllner and Robert R.
      Junker},
    journal = {bioRxiv},
    year = {2022},
    url = {https://doi.org/10.1101/2022.06.08.495236},
  }