{
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  "Package": "webchem",
  "Title": "Chemical Information from the Web",
  "Description": "Chemical information from around the web. This package\ninteracts with a suite of web services for chemical\ninformation. Sources include: Alan Wood's Compendium of\nPesticide Common Names, Chemical Identifier Resolver, ChEBI,\nChemical Translation Service, ChemSpider, ETOX, Flavornet, NIST\nChemistry WebBook, OPSIN, PubChem, SRS, Wikidata.",
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  "Maintainer": "Tamás Stirling <stirling.tamas@gmail.com>",
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  "Repository": "https://r-multiverse.r-universe.dev",
  "Date/Publication": "2025-07-16 03:02:26 UTC",
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  "Author": "Eduard Szöcs [aut],\nRobert Allaway [ctb],\nDaniel Muench [ctb],\nJohannes Ranke [ctb],\nAndreas Scharmüller [ctb],\nEric R Scott [ctb],\nJan Stanstrup [ctb],\nJoão Vitor F Cavalcante [ctb],\nGordon Getzinger [ctb],\nEthan Bass [ctb],\nTamás Stirling [ctb, cre]",
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    "aw_query",
    "bcpc_query",
    "cas",
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    "chembl_atc_classes",
    "chembl_query",
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    "cs_prop",
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    "cts_convert",
    "cts_from",
    "cts_to",
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    "etox_targets",
    "etox_tests",
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    "fn_percept",
    "get_chebiid",
    "get_cid",
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    "get_etoxid",
    "get_wdid",
    "inchikey",
    "is.cas",
    "is.inchikey",
    "is.inchikey_cs",
    "is.inchikey_format",
    "is.smiles",
    "nist_ri",
    "opsin_query",
    "pan_query",
    "parse_mol",
    "pc_prop",
    "pc_sect",
    "pc_synonyms",
    "ping_service",
    "pp_query",
    "ppdb",
    "ppdb_parse",
    "ppdb_query",
    "smiles",
    "srs_query",
    "wd_ident",
    "write_mol"
  ],
  "_datasets": [
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      "title": "Organic plant protection products in the river Jagst / Germany in 2013",
      "object": "jagst",
      "class": [
        "data.frame"
      ],
      "fields": [
        "date",
        "substance",
        "value",
        "qual"
      ],
      "rows": 442,
      "table": true,
      "tojson": true
    },
    {
      "name": "lc50",
      "title": "Acute toxicity data from U.S. EPA ECOTOX",
      "object": "lc50",
      "class": [
        "data.frame"
      ],
      "fields": [
        "cas",
        "value"
      ],
      "rows": 124,
      "table": true,
      "tojson": true
    }
  ],
  "_help": [
    {
      "page": "webchem-package",
      "title": "webchem: An R package to retrieve chemical information from the web.",
      "topics": [
        "webchem-package",
        "webchem"
      ]
    },
    {
      "page": "as.cas",
      "title": "Format numbers as CAS numbers",
      "topics": [
        "as.cas"
      ]
    },
    {
      "page": "bcpc_query",
      "title": "Query https://pesticidecompendium.bcpc.org",
      "topics": [
        "bcpc_query"
      ]
    },
    {
      "page": "chebi_comp_entity",
      "title": "Retrieve Complete Entity from ChEBI",
      "topics": [
        "chebi_comp_entity"
      ]
    },
    {
      "page": "chembl_atc_classes",
      "title": "Retrieve all ATC classes",
      "topics": [
        "chembl_atc_classes"
      ]
    },
    {
      "page": "chembl_query",
      "title": "Query ChEMBL using ChEMBL IDs",
      "topics": [
        "chembl_query"
      ]
    },
    {
      "page": "chembl_resources",
      "title": "List ChEMBL Resources",
      "topics": [
        "chembl_resources"
      ]
    },
    {
      "page": "cir_img",
      "title": "Query Chemical Identifier Resolver Images",
      "topics": [
        "cir_img"
      ]
    },
    {
      "page": "cir_query",
      "title": "Query Chemical Identifier Resolver",
      "topics": [
        "cir_query"
      ]
    },
    {
      "page": "cs_check_key",
      "title": "Retrieve ChemSpider API key",
      "topics": [
        "cs_check_key"
      ]
    },
    {
      "page": "cs_compinfo",
      "title": "Retrieve record details by ChemSpider ID",
      "topics": [
        "cs_compinfo"
      ]
    },
    {
      "page": "cs_control",
      "title": "Control ChemSpider API requests",
      "topics": [
        "cs_control"
      ]
    },
    {
      "page": "cs_convert",
      "title": "Convert identifiers using ChemSpider",
      "topics": [
        "cs_convert"
      ]
    },
    {
      "page": "cs_datasources",
      "title": "Retrieve ChemSpider data sources",
      "topics": [
        "cs_datasources"
      ]
    },
    {
      "page": "cs_extcompinfo",
      "title": "Get extended record details by ChemSpider ID",
      "topics": [
        "cs_extcompinfo"
      ]
    },
    {
      "page": "cs_img",
      "title": "Download images from ChemSpider",
      "topics": [
        "cs_img"
      ]
    },
    {
      "page": "cts_compinfo",
      "title": "Get record details from Chemical Translation Service (CTS)",
      "topics": [
        "cts_compinfo"
      ]
    },
    {
      "page": "cts_convert",
      "title": "Convert Ids using Chemical Translation Service (CTS)",
      "topics": [
        "cts_convert"
      ]
    },
    {
      "page": "cts_from",
      "title": "Return a list of all possible ids",
      "topics": [
        "cts_from"
      ]
    },
    {
      "page": "cts_to",
      "title": "Return a list of all possible ids",
      "topics": [
        "cts_to"
      ]
    },
    {
      "page": "etox_basic",
      "title": "Get basic information from a ETOX ID",
      "topics": [
        "etox_basic"
      ]
    },
    {
      "page": "etox_targets",
      "title": "Get Quality Targets from a ETOX ID",
      "topics": [
        "etox_targets"
      ]
    },
    {
      "page": "etox_tests",
      "title": "Get Tests from a ETOX ID",
      "topics": [
        "etox_tests"
      ]
    },
    {
      "page": "extractors",
      "title": "Extract parts from webchem objects",
      "topics": [
        "cas",
        "extractors",
        "inchikey",
        "smiles"
      ]
    },
    {
      "page": "find_db",
      "title": "Check data source coverage of compounds",
      "topics": [
        "find_db"
      ]
    },
    {
      "page": "fn_percept",
      "title": "Retrieve flavor percepts from www.flavornet.org",
      "topics": [
        "fn_percept"
      ]
    },
    {
      "page": "get_chebiid",
      "title": "Retrieve Lite Entity (identifiers) from ChEBI",
      "topics": [
        "get_chebiid"
      ]
    },
    {
      "page": "get_cid",
      "title": "Retrieve Pubchem Compound ID (CID)",
      "topics": [
        "get_cid"
      ]
    },
    {
      "page": "get_csid",
      "title": "ChemSpider ID from compound name, formula, SMILES, InChI or InChIKey",
      "topics": [
        "get_csid"
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    },
    {
      "page": "get_etoxid",
      "title": "Get ETOX ID",
      "topics": [
        "get_etoxid"
      ]
    },
    {
      "page": "get_wdid",
      "title": "Get Wikidata Item ID",
      "topics": [
        "get_wdid"
      ]
    },
    {
      "page": "is.cas",
      "title": "Check if input is a valid CAS",
      "topics": [
        "is.cas"
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    {
      "page": "is.inchikey",
      "title": "Check if input is a valid inchikey",
      "topics": [
        "is.inchikey"
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    },
    {
      "page": "is.inchikey_cs",
      "title": "Check if input is a valid inchikey using ChemSpider API",
      "topics": [
        "is.inchikey_cs"
      ]
    },
    {
      "page": "is.inchikey_format",
      "title": "Check if input is a valid inchikey using format",
      "topics": [
        "is.inchikey_format"
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    },
    {
      "page": "is.smiles",
      "title": "Check if input is a SMILES string",
      "topics": [
        "is.smiles"
      ]
    },
    {
      "page": "jagst",
      "title": "Organic plant protection products in the river Jagst / Germany in 2013",
      "topics": [
        "jagst"
      ]
    },
    {
      "page": "lc50",
      "title": "Acute toxicity data from U.S. EPA ECOTOX",
      "topics": [
        "lc50"
      ]
    },
    {
      "page": "nist_ri",
      "title": "Retrieve retention indices from NIST",
      "topics": [
        "nist_ri"
      ]
    },
    {
      "page": "opsin_query",
      "title": "OPSIN web interface",
      "topics": [
        "opsin_query"
      ]
    },
    {
      "page": "parse_mol",
      "title": "Parse Molfile (as returned by ChemSpider) into a R-object.",
      "topics": [
        "parse_mol"
      ]
    },
    {
      "page": "pc_prop",
      "title": "Retrieve compound properties from a pubchem CID",
      "topics": [
        "pc_prop"
      ]
    },
    {
      "page": "pc_sect",
      "title": "Retrieve data from PubChem content pages",
      "topics": [
        "pc_sect"
      ]
    },
    {
      "page": "pc_synonyms",
      "title": "Search synonyms in pubchem",
      "topics": [
        "pc_synonyms"
      ]
    },
    {
      "page": "ping_service",
      "title": "Ping an API used in webchem to see if it's working.",
      "topics": [
        "ping_service"
      ]
    },
    {
      "page": "srs_query",
      "title": "Get record details from U.S. EPA Substance Registry Servives (SRS)",
      "topics": [
        "srs_query"
      ]
    },
    {
      "page": "wd_ident",
      "title": "Retrieve identifiers from Wikidata",
      "topics": [
        "wd_ident"
      ]
    },
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