Description Usage Arguments Value See Also Examples
View source: R/oxy-from_formula.R
Takes molecular formula, and scours PubChem and/or ChemSpider for compounds matching that formula.
1 2 3 4 5 6 | searchFormulaWeb(
formulas,
search = c("pubchem", "chemspider", "knapsack", "supernatural2", "chemidplus"),
apikey = "",
detailed = TRUE
)
|
formulas |
Character vector of formulas to check |
search |
Which databases to check?, Default: c("PubChem", "ChemSpider") |
apikey |
API key for ChemSpider |
detailed |
Find detailed results? Not just the compound name, but other associated info?, Default: FALSE |
Data table with match results.
pbapply
as.data.table
,rbindlist
check_chemform
fn
str_extract
,str_match
readHTMLTable
list.clean
read_json
POST
,add_headers
,content_type
,content
,GET
fromJSON
1 2 3 4 5 |
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