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 |
A length of id
character vector,
each element containing the corresponding drug molecule.
This function retrieves drug molecules in MOL and SMILES format from five databases.
See getProt
for retrieving protein sequences
from three databases.
# NOT RUN { id = c('DB00859', 'DB00860') # }# NOT RUN { getDrug(id, 'drugbank', 'smile') # }