getDrug {Rcpi} | R Documentation |
Retrieve Drug Molecules in MOL and SMILES Format from Databases
getDrug(id, from = c("pubchem", "chembl", "cas", "kegg", "drugbank"), type = c("mol", "smile"), parallel = 5)
id |
A character vector, as the drug ID(s). |
from |
The database, one of |
type |
The returned molecule format, |
parallel |
An integer, the parallel parameter, indicates how many
process the user would like to use for retrieving
the data (using RCurl), default is |
This function retrieves drug molecules in MOL and SMILES format from five databases.
A length of id
character vector,
each element containing the corresponding drug molecule.
Nan Xiao <https://nanx.me>
See getProt
for retrieving protein sequences
from three databases.
id = c('DB00859', 'DB00860') getDrug(id, 'drugbank', 'smile')