getSmiFromKEGG: Retrieve Drug Molecules in SMILES Format from the KEGG...

In road2stat/Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery

Retrieve Drug Molecules in SMILES Format from the KEGG Database

Description

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.

Details

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

Value

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

See Also

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

Examples

id = 'D00496'  # Penicillamine

getSmiFromKEGG(id)

road2stat/Rcpi documentation built on May 15, 2024, 4:34 a.m.