rpubchem: An Interface to the PubChem Collection
Version 1.5.10

Access PubChem data (compounds, substance, assays) using R. Structural information is provided in the form of SMILES strings. It currently only provides access to a subset of the precalculated data stored by PubChem. Bio-assay data can be accessed to obtain descriptions as well as the actual data. It is also possible to search for assay ID's by keyword.

AuthorRajarshi Guha [aut, cre], John Buonagurio [ctb]
Date of publication2016-12-27 12:03:57
MaintainerRajarshi Guha <rajarshi.guha@gmail.com>
LicenseGPL (>= 2)
Version1.5.10
URL https://github.com/rajarshi/cdkr https://pubchem.ncbi.nlm.nih.gov/
Package repositoryView on CRAN
InstallationInstall the latest version of this package by entering the following in R:
install.packages("rpubchem")

Popular man pages

decodeCACTVS: Convert a Base64 encoded Pubchem 881-bit fingerprint to a...
getadesc: Get An Assay Description
getaidcid: Get Assay ID Based on Compound Activity
getassay: Get a PubChem Bio-Assay
getcid: Get PubChem Compound Information
getsid: Get PubChem Substance Information
getsynonyms: Get PubChem Compound ID's and Synonyms
See all...

All man pages Function index File listing

Man pages

decodeCACTVS: Convert a Base64 encoded Pubchem 881-bit fingerprint to a...
findaid: Search for Assay ID's
getadesc: Get An Assay Description
getaidcid: Get Assay ID Based on Compound Activity
getassay: Get a PubChem Bio-Assay
getassaysummary: Get a PubChem Bio-Assay Summary
getcid: Get PubChem Compound Information
get.cids.by.aid: Retreive CID's for the given bioassay
getcsid: Get PubChem Substance ID's Associated With A Compound and...
getsid: Get PubChem Substance Information
get.sids.by.aid: Retreive SID's for the given bioassay
getsynonyms: Get PubChem Compound ID's and Synonyms

Functions

add.assay.metadata Source code
check.cas Source code
clean.bioassay.csv Source code
cmpd.id2id Source code
decodeCACTVS Man page Source code
ds.for.aid Source code
extract.fields Source code
find.assay.id Man page Source code
find.compound.count Source code
get.aid.by.cid Man page Source code
get.aid.by.cid.old Source code
get.assay Man page Source code
get.assay.desc Man page Source code
get.assay.id.xml Source code
get.assay.summary Man page Source code
get.cid Man page Source code
get.cid.list Man page Source code
get.cid.old Source code
get.cids.by.aid Man page Source code
get.poll.xml Source code
get.pug.url Source code
get.sid Man page Source code
get.sid.list Man page Source code
get.sids.by.aid Man page Source code
get.synonyms Man page Source code
get.xml.file Source code
getAssay Source code
getAssayDirect Source code
gunzip Source code
hex2bin Source code
hexcode.binvec.convert Source code
join Source code
load.pug.query Source code
nchikey.2.cid Source code
poll.pubchem Source code
read.url Source code
section.by.heading Source code
section.handler Source code
section.value Source code
sinchikey Source code
uniqify Source code
xml2pugq Source code

Files

inst
inst/pugxml
inst/pugxml/assay-cid.xml
inst/pugxml/pug-poll.xml
inst/pugxml/assay-sid.xml
tests
tests/testthat.R
tests/testthat
tests/testthat/test-getassay.R
NAMESPACE
R
R/bioassayQueries.R
R/pug.R
R/getassay.R
R/pugrest.R
R/getsynonyms.R
R/sidcid.R
MD5
DESCRIPTION
man
man/get.sids.by.aid.Rd
man/getaidcid.Rd
man/get.cids.by.aid.Rd
man/getadesc.Rd
man/getsid.Rd
man/getcid.Rd
man/decodeCACTVS.Rd
man/getcsid.Rd
man/getassaysummary.Rd
man/getsynonyms.Rd
man/getassay.Rd
man/findaid.Rd
rpubchem documentation built on May 19, 2017, 3:40 p.m.