Retrieve Drug Molecules in SMILES Format from the PubChem Database
Source:R/101-getDrugPubChem.R
getSmiFromPubChem.Rd
Retrieve Drug Molecules in SMILES Format from the PubChem Database
Arguments
- id
A character vector, as the PubChem drug ID.
- parallel
An integer, the parallel parameter, indicates how many processes the user would like to use for retrieving the data (using RCurl), default is
5
. For regular cases, we recommend a number less than20
.
See also
See getMolFromPubChem
for retrieving drug molecules
in MOL format from the PubChem database.
Examples
id = c('7847562', '7847563') # Penicillamine
# \donttest{
getSmiFromPubChem(id)# }
#> Error in loadMolecules(normalizePath(sdffile)): The package "rcdk" is required to load molecular structures