Retrieve Drug Molecules in SMILES Format from the ChEMBL Database

Share:

Description

Retrieve Drug Molecules in SMILES Format from the ChEMBL Database

Usage

1
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.

Details

This function retrieves drug molecules in SMILES format from the ChEMBL database.

Value

A length of id character vector, each element containing the corresponding drug molecule.

Author(s)

Nan Xiao <http://nanx.me>

See Also

See getMolFromChEMBL for retrieving drug molecules in MOL format from the ChEMBL database.

Examples

1
2
3
id = 'CHEMBL1430'  # Penicillamine

getSmiFromChEMBL(id)

Want to suggest features or report bugs for rdrr.io? Use the GitHub issue tracker.