DESCRIPTION

Package: PFAScreeneR
Type: Package
Title: Create a PFAS molecular database and associated in silico tandem mass 
   spectral library
Version: 0.1.0
Authors:c(person("Gordon", "Getzinger", role = c("aut", "cre"), email = "gjg3@duke.edu"))
Author: Gordon Getzinger [aut,cre]
Maintainer: Gordon Getzinger <gjg3@duke.edu>
Description: This package takes input PFAS molecular databases, predictes 
   environmental transformations and creates an in silico tandem mass spectral
   library for use in non-targeted high-resolution mass spectrometry analysis 
   of environmental samples.
License: MIT + file LICENSE
Encoding: UTF-8
LazyData: true
Suggests: 
    knitr,
    rmarkdown
VignetteBuilder: knitr
Roxygen: list(markdown = TRUE)
RoxygenNote: 7.0.2
Imports: 
    magrittr, 
    dplyr, 
    DBI, 
    purrr, 
    readr, 
    RSQLite, 
    reticulate