getMolFromChEMBL: Retrieve Drug Molecules in MOL Format from the ChEMBL...

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

Retrieve Drug Molecules in MOL Format from the ChEMBL Database

Description

Retrieve Drug Molecules in MOL Format from the ChEMBL Database

Usage

getMolFromChEMBL(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 MOL format from the ChEMBL database.

Value

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

See Also

See getSmiFromChEMBL for retrieving drug molecules in SMILES format from the ChEMBL database.

Examples

id = 'CHEMBL1430'  # Penicillamine

getMolFromChEMBL(id)

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