Chemical Information from the Web

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Documentation for package ‘webchem’ version 1.3.0

Help Pages

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.