Man pages for webchem
Chemical Information from the Web

as.casFormat numbers as CAS numbers
chebi_comp_entityRetrieve Complete Entity from ChEBI
chembl_atc_classesRetrieve all ATC classes
chembl_queryQuery ChEMBL using ChEMBL IDs
chembl_resourcesList ChEMBL Resources
cir_imgQuery Chemical Identifier Resolver Images
cir_queryQuery Chemical Identifier Resolver
cs_check_keyRetrieve ChemSpider API key
cs_compinfoRetrieve record details by ChemSpider ID
cs_controlControl ChemSpider API requests
cs_convertConvert identifiers using ChemSpider
cs_datasourcesRetrieve ChemSpider data sources
cs_extcompinfoGet extended record details by ChemSpider ID
cs_imgDownload images from ChemSpider
cts_compinfoGet record details from Chemical Translation Service (CTS)
cts_convertConvert Ids using Chemical Translation Service (CTS)
cts_fromReturn a list of all possible ids
cts_toReturn a list of all possible ids
etox_basicGet basic information from a ETOX ID
etox_targetsGet Quality Targets from a ETOX ID
etox_testsGet Tests from a ETOX ID
extractorsExtract parts from webchem objects
find_dbCheck data source coverage of compounds
fn_perceptRetrieve flavor percepts from
get_chebiidRetrieve Lite Entity (identifiers) from ChEBI
get_cidRetrieve Pubchem Compound ID (CID)
get_csidChemSpider ID from compound name, formula, SMILES, InChI or...
get_etoxidGet ETOX ID
get_wdidGet Wikidata Item ID
is.casCheck if input is a valid CAS
is.inchikeyCheck if input is a valid inchikey
is.inchikey_csCheck if input is a valid inchikey using ChemSpider API
is.inchikey_formatCheck if input is a valid inchikey using format
is.smilesCheck if input is a SMILES string
jagstOrganic plant protection products in the river Jagst /...
lc50Acute toxicity data from U.S. EPA ECOTOX
nist_riRetrieve retention indices from NIST
opsin_queryOPSIN web interface
parse_molParse Molfile (as returned by ChemSpider) into a R-object.
pc_propRetrieve compound properties from a pubchem CID
pc_sectRetrieve data from PubChem content pages
pc_synonymsSearch synonyms in pubchem
ping_servicePing an API used in webchem to see if it's working.
srs_queryGet record details from U.S. EPA Substance Registry Servives...
wd_identRetrieve identifiers from Wikidata
webchemwebchem: An R package to retrieve chemical information from...
webchem-defunctDefunct function(s) in the webchem package
webchem-deprecatedDeprecated function(s) in the webchem package
with_ctsAuto-translate identifiers and search databases
write_molExport a Chemical Structure in .mol Format.
webchem documentation built on July 9, 2023, 5:30 p.m.