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

Description Usage Arguments Details Value Author(s) See Also Examples

Description

Retrieve Drug Molecules in MOL Format from the PubChem Database

Usage

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Arguments

id

A character vector, as the PubChem 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 PubChem database.

Value

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

Author(s)

Nan Xiao <https://nanx.me>

See Also

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

Examples

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

getMolFromPubChem(id)

Rcpi documentation built on Nov. 8, 2020, 8:23 p.m.