webchem-package | webchem: An R package to retrieve chemical information from the web. |
aw_idx | Index of Alan Woods Compendium of Pesticides |
aw_query | Query http://www.alanwood.net/pesticides |
build_aw_idx | Function to build index |
cas | Extract parts from webchem objects |
cid_compinfo | Deprecated function(s) in the webchem package |
cir | Defunct function(s) in the webchem package |
cir_query | Query Chemical Identifier Resolver |
ci_query | Retrieve information from ChemIDPlus <URL: http://chem.sis.nlm.nih.gov/chemidplus> |
cs_compinfo | Get record details (CSID, StdInChIKey, StdInChI, SMILES) by ChemSpider ID |
cs_convert | Convert identifiers using ChemSpider |
cs_csid_mol | Convert a CSID to a Molfile |
cs_extcompinfo | Get extended record details by ChemSpider ID |
cs_inchikey_csid | Convert a InChIKey to CSID |
cs_inchikey_inchi | Convert a InChIKey to InChI |
cs_inchikey_mol | Convert a InChIkey to a Molfile |
cs_inchi_csid | Convert a InChI to CSID |
cs_inchi_inchikey | Convert a InChI to InChiKey |
cs_inchi_mol | Convert a InChI to Molfile |
cs_inchi_smiles | Convert a InChI to SMILES |
cs_prop | Get predicted chemical properties from ChemSpider |
cs_smiles_inchi | Convert a SMILES to InChI |
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 |
extr_num | Extract a number from a string |
get_cid | Retrieve Pubchem Id (CID) |
get_csid | Retrieve ChemSpider ID |
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 |
opsin_query | OPSIN web interface |
pan_query | Query the PAN Pesticide database |
parse_mol | Parse Molfile (as returned by chemspider) into a R-object. |
pc_prop | Retrieve compound properties from a pubchem CID |
pc_synonyms | Search synonyms in pubchem |
ppdb | Defunct function(s) in the webchem package |
ppdb_parse | Parse a HTML source from PPDB. |
ppdb_query | Defunct function(s) in the webchem package |
pp_query | Query SRC PHYSPROP Database |
smiles | Extract parts from webchem objects |
wd_ident | Retrieve Indentifiers 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 |