getDrug {Rcpi} | R Documentation

## Retrieve Drug Molecules in MOL and SMILES Format from Databases

### Description

Retrieve Drug Molecules in MOL and SMILES Format from Databases

### Usage

    getDrug(id, from = c("pubchem", "chembl", "cas", "kegg", "drugbank"),
      type = c("mol", "smile"), parallel = 5)

### Arguments

`id` | A character vector, as the drug ID(s).
`from` | The database, one of `'pubchem'`, `'chembl'`, `'cas'`, `'kegg'`, `'drugbank'`.
`type` | The returned molecule format, `mol` or `smile`.
`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 and SMILES format from five databases.

### Value

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

### Author(s)

Nan Xiao <https://nanx.me>

### See Also

See `getProt` for retrieving protein sequences from three databases.

### Examples

    id = c('DB00859', 'DB00860')

    getDrug(id, 'drugbank', 'smile')

[Package Rcpi version 1.24.0 Index]