Retrieve Drug Molecules in InChI Format from the CAS Database
Source:R/103-getDrugCAS.R
getMolFromCAS.Rd
Retrieve Drug Molecules in InChI Format from the CAS Database
Arguments
- id
A character vector, as the CAS 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 than20
.
Details
This function retrieves drug molecules in InChI format from the CAS database. CAS database only provides InChI data, so here we return the molecule in InChI format, users could convert them to SMILES format using Open Babel or other third-party tools.
See also
See getDrug
for retrieving drug molecules
in MOL and SMILES Format from other databases.