getSmiFromPubChem: Retrieve Drug Molecules in SMILES Format from the PubChem...

getSmiFromPubChemR Documentation

Retrieve Drug Molecules in SMILES Format from the PubChem Database

Description

Retrieve Drug Molecules in SMILES Format from the PubChem Database

Usage

getSmiFromPubChem(id, parallel = 5)

Arguments

id

A character vector, as the PubChem drug ID.

parallel

An integer, the parallel parameter, indicates how many processes 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 PubChem database.

Value

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

See Also

See getMolFromPubChem for retrieving drug molecules in MOL format from the PubChem database.

Examples

id = c('7847562', '7847563')  # Penicillamine

getSmiFromPubChem(id)

nanxstats/Rcpi documentation built on Sept. 24, 2024, 9:36 a.m.