getMolFromPubChem: Retrieve Drug Molecules in MOL Format from the PubChem...

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

Retrieve Drug Molecules in MOL Format from the PubChem Database

Description

Retrieve Drug Molecules in MOL Format from the PubChem Database

Usage

getMolFromPubChem(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 MOL format from the PubChem database.

Value

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

See Also

See getSmiFromPubChem for retrieving drug molecules in SMILES format from the PubChem database.

Examples

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

getMolFromPubChem(id)

nanxstats/Rcpi documentation built on July 6, 2023, 9:57 a.m.