R/chem_wiki.R

In chem.databases: Collection of 3 Chemical Databases from Public Sources

#' CompTox Chemicals Dashboard From Wikipedia
#'
#' A table containing chemical data from the CompTox Chemicals Dashboard which
#' is derived from various Wikipedia pages.
#'
#'
#'
#' @format A data.table data frame with 19,239 rows and 9 variables:
#' \describe{
#' item{CAS}{Chemical Abstracts Service (CAS) Registry Number}
#' item{Substance Name}{Preferred Chemical Substance Name}
#' item{IUPAC Name}{IUPAC Chemical Name}
#' item{Molecular Formula}{Chemical Molecular Formula}
#' item{SMILES}{Simplified Molecular-Input Line-Entry System (SMILES) Chemical Structural Notation}
#' item{InChI}{International Chemical Identifier (InChI) Chemical Structural Notation}
#' item{InChIKey}{Hashed Version of the InChI}
#' item{Average Mass}{Average Chemical Molecular Mass}
#' item{Monoisotopic Mass}{Single Chemical Isotope Mass}
#' }
#' 
#'
#' @source
#' United States Environmental Protection Agency (US EPA) / Wikimedia Foundation, Inc. "CompTox Chemicals Dashboard v2.2.1", \url{https://comptox.epa.gov/dashboard/chemical-lists/WIKIPEDIA}.
#'
#' 
#'
#'
"chem_wiki"
#> [1] "chem_wiki"