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

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

Description

Retrieve Drug Molecules in MOL Format from the DrugBank Database

Usage

1

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.

Author(s)

Nan Xiao <https://nanx.me>

See Also

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

Examples

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id = 'DB00859'  # Penicillamine

getMolFromDrugBank(id)

Example output

OpenJDK 64-Bit Server VM warning: Can't detect initial thread stack location - find_vma failed
[1] ""
Warning message:
system call failed: Cannot allocate memory 

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