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

Retrieve Drug Molecules in SMILES Format from the PubChem Database

1	getSmiFromPubChem(id, parallel = 5)

`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`.

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

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

See getMolFromPubChem for retrieving drug molecules in MOL format from the PubChem database.

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

getSmiFromPubChem(id)

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

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