pubchemCidToSDF: Import Compounds from PubChem

In girke-lab/ChemmineR: Cheminformatics Toolkit for R

Import Compounds from PubChem

Description

Accepts one or more PubChem compound ids and downloads the corresponding compounds from PubChem Power User Gateway (PUG) returning results in an SDFset container.

Usage

pubchemCidToSDF(cids)

Arguments

cids	A numeric object which contains one or more PubChem cids

Value

SDFset

for details see ?"SDFset-class"

Author(s)

Kevin Horan

References

PubChem PUG REST: https://pubchem.ncbi.nlm.nih.gov/pug_rest/PUG_REST_Tutorial.html

Examples

## Not run: 
## fetch 2 compounds from PubChem
compounds <- pubchemCidToSDF(c(111,123))
## End(Not run)

girke-lab/ChemmineR documentation built on July 28, 2023, 10:36 a.m.