R: Chemical Information from the Web

# Chemical Information from the Web

## 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.