Chemical Information from the Web

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Documentation for package ‘webchem’ version 1.3.1

• DESCRIPTION file.
• User guides, package vignettes and other documentation.
• Package NEWS.

Help Pages

webchem-package	webchem: An R package to retrieve chemical information from the web.
as.cas	Format numbers as CAS numbers
aw_query	Deprecated function(s) in the webchem package
bcpc_query	Query https://pesticidecompendium.bcpc.org
cas	Extract parts from webchem objects
chebi_comp_entity	Retrieve Complete Entity from ChEBI
chembl_atc_classes	Retrieve all ATC classes
chembl_query	Query ChEMBL using ChEMBL IDs
chembl_resources	List ChEMBL Resources
cid_compinfo	Deprecated function(s) in the webchem package
cir	Defunct function(s) in the webchem package
cir_img	Query Chemical Identifier Resolver Images
cir_query	Query Chemical Identifier Resolver
ci_query	Defunct function(s) in the webchem package
cs_check_key	Retrieve ChemSpider API key
cs_compinfo	Retrieve record details by ChemSpider ID
cs_control	Control ChemSpider API requests
cs_convert	Convert identifiers using ChemSpider
cs_datasources	Retrieve ChemSpider data sources
cs_extcompinfo	Get extended record details by ChemSpider ID
cs_img	Download images from ChemSpider
cs_prop	Defunct function(s) in the webchem package
cts_compinfo	Get record details from Chemical Translation Service (CTS)
cts_convert	Convert Ids using Chemical Translation Service (CTS)
cts_from	Return a list of all possible ids
cts_to	Return a list of all possible ids
etox_basic	Get basic information from a ETOX ID
etox_targets	Get Quality Targets from a ETOX ID
etox_tests	Get Tests from a ETOX ID
extractors	Extract parts from webchem objects
find_db	Check data source coverage of compounds
fn_percept	Retrieve flavor percepts from www.flavornet.org
get_chebiid	Retrieve Lite Entity (identifiers) from ChEBI
get_cid	Retrieve Pubchem Compound ID (CID)
get_csid	ChemSpider ID from compound name, formula, SMILES, InChI or InChIKey
get_etoxid	Get ETOX ID
get_wdid	Get Wikidata Item ID
inchikey	Extract parts from webchem objects
is.cas	Check if input is a valid CAS
is.inchikey	Check if input is a valid inchikey
is.inchikey_cs	Check if input is a valid inchikey using ChemSpider API
is.inchikey_format	Check if input is a valid inchikey using format
is.smiles	Check if input is a SMILES string
jagst	Organic plant protection products in the river Jagst / Germany in 2013
lc50	Acute toxicity data from U.S. EPA ECOTOX
nist_ri	Retrieve retention indices from NIST
opsin_query	OPSIN web interface
pan_query	Defunct function(s) in the webchem package
parse_mol	Parse Molfile (as returned by ChemSpider) into a R-object.
pc_prop	Retrieve compound properties from a pubchem CID
pc_sect	Retrieve data from PubChem content pages
pc_synonyms	Search synonyms in pubchem
ping_service	Ping an API used in webchem to see if it's working.
ppdb	Defunct function(s) in the webchem package
ppdb_parse	Defunct function(s) in the webchem package
ppdb_query	Defunct function(s) in the webchem package
pp_query	Defunct function(s) in the webchem package
smiles	Extract parts from webchem objects
srs_query	Get record details from U.S. EPA Substance Registry Servives (SRS)
wd_ident	Retrieve identifiers from Wikidata
webchem	webchem: An R package to retrieve chemical information from the web.
webchem-defunct	Defunct function(s) in the webchem package
webchem-deprecated	Deprecated function(s) in the webchem package
with_cts	Auto-translate identifiers and search databases
write_mol	Export a Chemical Structure in .mol Format.