To cite volcalc in publications please use:

Riemer K, Scott E, Meredith L (2023). volcalc: Calculate Volatility of Chemical Compounds. doi:10.5281/zenodo.8015155. R package version 2.2.0.9000.

Please also cite the related manuscript:

Meredith L, Ledford S, Riemer K, Geffre P, Graves K, Honeker L, LeBauer D, Tfaily M, Krechmer J (2023). “Automating methods for estimating metabolite volatility.” Frontiers in Microbiology. doi:10.3389/fmicb.2023.1267234.

Corresponding BibTeX entries:

  @Manual{,
    title = {volcalc: Calculate Volatility of Chemical Compounds},
    author = {Kristina Riemer and Eric R. Scott and Laura K. Meredith},
    year = {2023},
    note = {R package version 2.2.0.9000},
    doi = {10.5281/zenodo.8015155},
  }

  @Article{,
    title = {Automating methods for estimating metabolite volatility},
    author = {LK Meredith and SK Ledford and Kristina Riemer and P
      Geffre and K Graves and L Honeker and D LeBauer and M Tfaily and
      J Krechmer},
    year = {2023},
    doi = {10.3389/fmicb.2023.1267234},
    journal = {Frontiers in Microbiology},
  }