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This function retrieves FEMA (Flavor and Extract Manufacturers Association) flavor profile information for a list of CAS Registry Numbers (CASRN) from the PubChem database using the webchem package.

Usage

extr_pubchem_fema(casrn, verbose = TRUE, delay = 0)

Arguments

casrn

A vector of CAS Registry Numbers (CASRN) as atomic vectors.

verbose

A logical value indicating whether to print detailed messages. Default is TRUE.

delay

A numeric value indicating the delay (in seconds) between API requests. This controls the time between successive PubChem queries. Default is 0. See Details for more info.

Value

A data frame containing the FEMA flavor profile information for each CASRN. If no information is found for a particular CASRN, the output will include a row indicating this.

Details

The function performs two queries to PubChem:

  1. The first query retrieves the PubChem Compound Identifier (CID) for each IUPAC name.

  2. The second query retrieves additional information using the obtained CIDs. In cases of multiple rapid successive requests, the PubChem server may deny access. Introducing a delay between requests (using the delay parameter) can help prevent this issue.

See also

Examples

# \donttest{
extr_pubchem_fema(c("83-67-0", "1490-04-6"))
#>  Checking Internet Connection...
#>  Internet connection OK...
#> Querying 83-67-0. 
#> OK (HTTP 200).
#> 
#> Querying 5429. 
#> Not Found (HTTP 404).
#> 
#> Warning: FEMA Flavor Profile for 83-67-0 not found!
#> Querying 1490-04-6. 
#> OK (HTTP 200).
#> 
#> Querying 1254. 
#> OK (HTTP 200).
#> 
#>    cid     casrn  IUPAC_name     result
#> 1 5429   83-67-0 Theobromine       <NA>
#> 2 1254 1490-04-6     Menthol Mint, Cool
#>                                           source_name source_id
#> 1                                                <NA>      <NA>
#> 2 Flavor and Extract Manufacturers Association (FEMA)      2665
#>                                other     query
#> 1 FEMA Flavor Profile info not found   83-67-0
#> 2                               <NA> 1490-04-6
# }