Skip to contents

Retrieve Drug Molecules in SMILES Format from the KEGG Database

Usage

getSmiFromKEGG(id, parallel = 5)

Arguments

id

A character vector, as the KEGG 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 KEGG database.

See also

See getMolFromKEGG for retrieving drug molecules in MOL format from the KEGG database.

Examples

id = 'D00496'  # Penicillamine
# \donttest{
getSmiFromKEGG(id)# }
#> Error in loadMolecules(tmpfile): The package "rcdk" is required to load molecular structures