pubchemCidToSDF: Import Compounds from PubChem

In ChemmineR: Cheminformatics Toolkit for R

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)

ChemmineR documentation built on Feb. 28, 2021, 2:02 a.m.