getIds: 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. The ChemMine Tools web service is used as an intermediate, to translate queries from plain HTTP POST to a PUG SOAP query.

Usage

getIds(cids)

Arguments

cids	A numeric object which contains one or more PubChem cids

Value

SDFset

for details see ?"SDFset-class"

Author(s)

Tyler Backman

References

PubChem PUG SOAP: http://pubchem.ncbi.nlm.nih.gov/pug_soap/pug_soap_help.html

Chemmine web service: http://chemmine.ucr.edu

PubChem help: http://pubchem.ncbi.nlm.nih.gov/search/help_search.html

Examples

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

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