Man pages for ropensci/webchem
Chemical Information from the Web
| as.cas | Format numbers as CAS numbers |
| bcpc_query | Query https://pesticidecompendium.bcpc.org |
| 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 |
| cir_img | Query Chemical Identifier Resolver Images |
| cir_query | Query Chemical Identifier Resolver |
| 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 |
| 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... |
| get_etoxid | Get ETOX ID |
| get_wdid | Get Wikidata Item ID |
| 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 /... |
| lc50 | Acute toxicity data from U.S. EPA ECOTOX |
| nist_ri | Retrieve retention indices from NIST |
| opsin_query | OPSIN web interface |
| 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. |
| srs_query | Get record details from U.S. EPA Substance Registry Servives... |
| wd_ident | Retrieve identifiers from Wikidata |
| webchem | webchem: An R package to retrieve chemical information from... |
| 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. |
