getsynonyms: Get PubChem Compound ID's and Synonyms

Description Usage Arguments Details Value Author(s) See Also

Description

PubChem allows one to obtain the compound ID's and synonyms of compounds that match a search string. This function uses the PubChem Power User Gateway (PUG) REST API to supply a character vector of one or more compound names and return the compound ID's and synonyms of matching compounds. Additional information on compounds can be obtained using the get.cid function.

Usage

1
get.synonyms(name, idtype = NULL, quiet=TRUE)

Arguments

name

A vector of one or more compound names

idtype

The default value of NULL indicates that name should be considered a compound name. Alternative values are inchikey or cid, in which case name should be an InChI key or a Pubchem CID

quiet

If FALSE, output is verbose

Details

Processing a large number of compounds can take a long time. The PUG REST API is not designed for very large volumes (millions) of requests. In order to avoid overloading the PubChem servers, this function is limited to 5 requests per second.

Value

A data.frame with 4 columns:

Name

The compound name provided

CID

The compound ID

Synonym

Synonyms associated with the compound ID

CAS

Logical indicating whether the synonym is a CAS RN

Author(s)

John Buonagurio jbuonagurio@exponent.com

See Also

get.cid


rpubchem documentation built on May 2, 2019, 4:33 a.m.