webchem v1.1.1


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Chemical Information from the Web

Chemical information from around the web. This package interacts with a suite of web services for chemical information. Sources include: Alan Wood's Compendium of Pesticide Common Names, Chemical Identifier Resolver, ChEBI, Chemical Translation Service, ChemIDplus, ChemSpider, ETOX, Flavornet, NIST Chemistry WebBook, OPSIN, PAN Pesticide Database, PubChem, SRS, Wikidata.

Functions in webchem

Name Description
cir_query Query Chemical Identifier Resolver
cs_check_key Retrieve ChemSpider API key
cs_convert Convert identifiers using ChemSpider
aw_query Query http://www.alanwood.net/pesticides/
cs_compinfo Retrieve record details by ChemSpider ID
cs_img Download images from ChemSpider
cts_compinfo Get record details from Chemical Translation Service (CTS)
cts_convert Convert Ids using Chemical Translation Service (CTS)
is.cas Check if input is a valid CAS
cts_from Return a list of all possible ids
extractors Extract parts from webchem objects
cs_extcompinfo Get extended record details by ChemSpider ID
cs_datasources Retrieve ChemSpider data sources
fn_percept Retrieve flavor percepts from www.flavornet.org
find_db Check data source coverage of compounds
is.inchikey_cs Check if input is a valid inchikey using ChemSpider API
get_chebiid Retrieve Lite Entity (identifiers) from ChEBI
is.inchikey_format Check if input is a valid inchikey using format
get_wdid Get Wikidata Item ID
get_etoxid Get ETOX ID
cts_to Return a list of all possible ids
etox_basic Get basic information from a ETOX ID
is.inchikey Check if input is a valid inchikey
parse_mol Parse Molfile (as returned by ChemSpider) into a R-object.
pc_prop Retrieve compound properties from a pubchem CID
opsin_query OPSIN web interface
is.smiles Check if input is a SMILES string
etox_targets Get Quality Targets from a ETOX ID
etox_tests Get Tests from a ETOX ID
pc_sect Retrieve data from PubChem content pages
pc_synonyms Search synonyms in pubchem
pan_query Query the PAN Pesticide database
webchem-deprecated Deprecated function(s) in the webchem package
nist_ri Retrieve retention indices from NIST
lc50 Acute toxicity data from U.S. EPA ECOTOX
with_cts Auto-translate identifiers and search databases
jagst Organic plant protection products in the river Jagst / Germany in 2013
webchem webchem: An R package to retrieve chemical information from the web.
get_csid ChemSpider ID from compound name, formula, SMILES, InChI or InChIKey
srs_query Get record details from U.S. EPA Substance Registry Servives (SRS)
ping_service Ping an API used in webchem to see if it's working.
get_cid Retrieve Pubchem Compound ID (CID)
webchem-defunct Defunct function(s) in the webchem package
wd_ident Retrieve identifiers from Wikidata
ci_query Retrieve information from ChemIDPlus
cir_img Query Chemical Identifier Resolver Images
as.cas Format numbers as CAS numbers
chebi_comp_entity Retrieve Complete Entity from ChEBI
cs_control Control ChemSpider API requests
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Type Package
Date 2021-02-07
License MIT + file LICENSE
URL https://docs.ropensci.org/webchem/, https://github.com/ropensci/webchem
BugReports https://github.com/ropensci/webchem/issues
LazyLoad yes
LazyData yes
Encoding UTF-8
RoxygenNote 7.1.1
VignetteBuilder knitr
NeedsCompilation no
Packaged 2021-02-07 06:48:53 UTC; tomi
Repository CRAN
Date/Publication 2021-02-07 07:30:02 UTC

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