pc_prop.Rd

% Generated by roxygen2: do not edit by hand
% Please edit documentation in R/pubchem.R
\name{pc_prop}
\alias{pc_prop}
\title{Retrieve compound properties from a pubchem CID}
\usage{
pc_prop(cid, properties = NULL, verbose = TRUE, ...)
}
\arguments{
\item{cid}{character; Pubchem ID (CID).}

\item{properties}{character vector; properties to retrieve, e.g.
c("MolecularFormula", "MolecularWeight"). If NULL (default) all available
properties are retrieved. See
\url{https://pubchemdocs.ncbi.nlm.nih.gov/pug-rest}
for a list of all available properties.}

\item{verbose}{logical; should a verbose output be printed to the console?}

\item{...}{currently not used.}
}
\value{
a data.frame
}
\description{
Retrieve compound information from pubchem CID, see
\url{https://pubchem.ncbi.nlm.nih.gov/}
}
\note{
Please respect the Terms and Conditions of the National Library of
Medicine, \url{https://www.nlm.nih.gov/databases/download.html} the data
usage policies of National Center for Biotechnology Information,
\url{https://www.ncbi.nlm.nih.gov/home/about/policies/},
\url{https://pubchemdocs.ncbi.nlm.nih.gov/programmatic-access}, and the data
usage policies of the indicidual data sources
\url{https://pubchem.ncbi.nlm.nih.gov/sources/}.
}
\examples{
\donttest{
# might fail if API is not available
pc_prop(5564)

###
# multiple CIDS
comp <- c("Triclosan", "Aspirin")
cids <- get_cid(comp)
pc_prop(cids$cid, properties = c("MolecularFormula", "MolecularWeight",
"CanonicalSMILES"))
}
}
\references{
Wang, Y., J. Xiao, T. O. Suzek, et al. 2009 PubChem: A Public
Information System for
Analyzing Bioactivities of Small Molecules. Nucleic Acids Research 37:
623–633.

Kim, Sunghwan, Paul A. Thiessen, Evan E. Bolton, et al. 2016
PubChem Substance and Compound Databases. Nucleic Acids Research 44(D1):
D1202–D1213.

Kim, S., Thiessen, P. A., Bolton, E. E., & Bryant, S. H. (2015).
PUG-SOAP and PUG-REST: web services for programmatic access to chemical
information in PubChem. Nucleic acids research, gkv396.

Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller,
Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical
Information from the Web. Journal of Statistical Software, 93(13).
\doi{10.18637/jss.v093.i13}.
}
\seealso{
\code{\link{get_cid}}, \code{\link{pc_sect}}
}