Man pages for webchem
Chemical Information from the Web

aw_idxIndex of Alan Woods Compendium of Pesticides
build_aw_idxFunction to build index
ci_queryRetrieve information from ChemIDPlus <URL:...
cir_queryQuery Chemical Identifier Resolver
cs_compinfoGet record details (CSID, StdInChIKey, StdInChI, SMILES) by...
cs_convertConvert identifiers using ChemSpider
cs_csid_molConvert a CSID to a Molfile
cs_extcompinfoGet extended record details by ChemSpider ID
cs_inchi_csidConvert a InChI to CSID
cs_inchi_inchikeyConvert a InChI to InChiKey
cs_inchikey_csidConvert a InChIKey to CSID
cs_inchikey_inchiConvert a InChIKey to InChI
cs_inchikey_molConvert a InChIkey to a Molfile
cs_inchi_molConvert a InChI to Molfile
cs_inchi_smilesConvert a InChI to SMILES
cs_propGet predicted chemical properties from ChemSpider
cs_smiles_inchiConvert a SMILES to InChI
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
extr_numExtract a number from a string
fn_perceptRetrieve flavor percepts from
get_cidRetrieve Pubchem Id (CID)
get_csidRetrieve ChemSpider ID
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
opsin_queryOPSIN web interface
pan_queryQuery the PAN Pesticide database
parse_molParse Molfile (as returned by chemspider) into a R-object.
pc_propRetrieve compound properties from a pubchem CID
pc_synonymsSearch synonyms in pubchem
pingPing an API used in webchem to see if it's working.
ppdb_parseParse a HTML source from PPDB.
pp_queryQuery SRC PHYSPROP Database
wd_identRetrieve Indentifiers 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
webchem documentation built on April 8, 2018, 1:03 a.m.