Retrieve Drug Molecules in SMILES Format from the ChEMBL Database
Usage
getSmiFromChEMBL(id, parallel = 5)
Arguments
- id
A character vector, as the ChEMBL drug ID.
- parallel
An integer, the parallel parameter, indicates how many
process the user would like to use for retrieving
the data (using RCurl), default is 5.
For regular cases, we recommend a number less than 20.
Value
A length of id character vector,
each element containing the corresponding drug molecule.
Details
This function retrieves drug molecules in SMILES format from the
ChEMBL database.
See also
See getMolFromChEMBL for retrieving drug molecules
in MOL format from the ChEMBL database.
Examples
id = 'CHEMBL1430' # Penicillamine
# \donttest{
getSmiFromChEMBL(id)# }
#> [1] "CC(C)(S)[C@@H](N)C(=O)O"
