getSmiFromKEGG: Retrieve Drug Molecules in SMILES Format from the KEGG...
In Rcpi: Molecular Informatics Toolkit for Compound-Protein Interaction in Drug Discovery

Retrieve Drug Molecules in SMILES Format from the KEGG Database

1	getSmiFromKEGG(id, parallel = 5)

`id`	A character vector, as the KEGG 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`.

This function retrieves drug molecules in SMILES format from the KEGG database.

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

See getMolFromKEGG for retrieving drug molecules in MOL format from the KEGG database.

1
2
3

id = 'D00496'  # Penicillamine

getSmiFromKEGG(id)

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

Rcpi index

Note that we can't provide technical support on individual packages. You should contact the package authors for that.

Description