DESCRIPTION

Package: volcalc
Title: Calculate Volatility of Chemical Compounds
Version: 2.1.2.9000
Authors@R: c(
    person("Kristina", "Riemer", , "kristinariemer@arizona.edu", role = c("aut", "cre", "cph"),
           comment = c(ORCID = "0000-0003-3802-3331")),
    person("Eric R.", "Scott", role = "aut",
           comment = c(ORCID = "0000-0002-7430-7879")),
    person("Laura K.", "Meredith", role = "aut",
           comment = c(ORCID = "0000-0003-4244-4366")),
    person("S. Marshall", "Ledford", role = "ctb"),
    person("Tamás", "Stirling", role = "ctb")
  )
Description: Calculate estimated relative volatility index values for
    organic compounds based on functional group contributions. Calculation
    uses the SIMPOL.1 method in Prankow and Asher (2008)
    <doi:10.5194/acp-8-2773-2008> or modified SIMPOL.1 method as in
    Meredith et al. (2023) <doi:10.5194/acp-8-2773-2008>.
License: MIT + file LICENSE
URL: https://meredith-lab.github.io/volcalc/, https://cct-datascience.r-universe.dev/volcalc
BugReports: https://github.com/Meredith-Lab/volcalc/issues
Imports: 
    ChemmineOB,
    ChemmineR,
    dplyr,
    fs,
    glue,
    httr2,
    KEGGREST,
    magrittr,
    purrr,
    rlang,
    stringr,
    tibble,
    tidyr,
    tidyselect
Suggests: 
    knitr,
    processx,
    rmarkdown,
    testthat (>= 3.0.0),
    withr
VignetteBuilder: 
    knitr
biocViews: 
Config/testthat/edition: 3
Encoding: UTF-8
Roxygen: list(markdown = TRUE)
RoxygenNote: 7.3.1