getMolFromDrugBank: Retrieve Drug Molecules in MOL Format from the DrugBank...

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

Retrieve Drug Molecules in MOL Format from the DrugBank Database

Description

Retrieve Drug Molecules in MOL Format from the DrugBank Database

Usage

getMolFromDrugBank(id, parallel = 5)

Arguments

id	A character vector, as the DrugBank 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 DrugBank database.

Value

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

See Also

See getSmiFromDrugBank for retrieving drug molecules in SMILES format from the DrugBank database.

Examples

id = 'DB00859'  # Penicillamine

getMolFromDrugBank(id)

road2stat/Rcpi documentation built on Sept. 17, 2024, 9:44 p.m.