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Get ETOX ID

Source: R/etox.R
get_etoxid.Rd

Query ETOX: Information System Ecotoxicology and Environmental Quality Targets https://webetox.uba.de/webETOX/index.do for their substance ID

Usage

get_etoxid(
  query,
  from = c("name", "cas", "ec", "gsbl", "rtecs"),
  match = c("all", "best", "first", "ask", "na"),
  verbose = getOption("verbose")
)

Arguments

query

character; The searchterm

from

character; Type of input, can be one of "name" (chemical name), "cas" (CAS Number), "ec" (European Community number for regulatory purposes), "gsbl" (Identifier used by https://www.chemikalieninfo.de/) and "rtecs" (Identifier used by the Registry of Toxic Effects of Chemical Substances database).

match

character; How should multiple hits be handeled? "all" returns all matched IDs, "first" only the first match, "best" the best matching (by name) ID, "ask" is a interactive mode and the user is asked for input, "na" returns NA if multiple hits are found.

verbose

logical; print message during processing to console?

Value

a tibble with 3 columns: the query, the match, and the etoxID

Note

Before using this function, please read the disclaimer https://webetox.uba.de/webETOX/disclaimer.do.

References

Eduard Szöcs, Tamás Stirling, Eric R. Scott, Andreas Scharmüller, Ralf B. Schäfer (2020). webchem: An R Package to Retrieve Chemical Information from the Web. Journal of Statistical Software, 93(13). doi:10.18637/jss.v093.i13 .

See also

etox_basic for basic information, etox_targets for quality targets and etox_tests for test results.

Examples

if (FALSE) { # \dontrun{
# might fail if API is not available
get_etoxid("Triclosan")
# multiple inputs
comps <- c("Triclosan", "Glyphosate")
get_etoxid(comps)
get_etoxid(comps, match = "all")
get_etoxid("34123-59-6", from = "cas") # Isoproturon
get_etoxid("133483", from = "gsbl") # 3-Butin-1-ol
get_etoxid("203-157-5", from = "ec") # Paracetamol
} # }