Usage
get_msready_by_formula(
formula = NULL,
API_key = NULL,
Server = chemical_api_server,
verbose = FALSE
)
Arguments
- formula
A string denoting the input chemical formula
- API_key
The user-specific API key
- Server
The root address for the API endpoint
- verbose
A logical indicating if some “progress report” should be given.
Value
A character list of DTXSIDs with chemical formulas matching the
search criteria
Examples
if (FALSE) { # has_ctx_key() & is.na(ctx_key() == "FAKE_KEY")
# Pull chemicals that match input formula
mass_formula <- get_msready_by_formula(formula = 'C16H24N2O5S')
}