Get mol file by DTXSID or DTXCID batch
Usage
get_chemical_mol_batch(
DTXSID = NULL,
DTXCID = NULL,
API_key = NULL,
rate_limit = 0L,
verbose = FALSE
)Arguments
- DTXSID
A list of the chemical identifier DTXSIDs.
- DTXCID
A list of the chemical identifier DTXCIDs.
- API_key
The user-specific API key.
- rate_limit
Number of seconds to wait between each request
- verbose
A logical indicating if some “progress report” should be given.
Value
A named list of character strings giving a mol file representations of the given input chemicals.
Examples
if (FALSE) { # has_ctx_key() & is.na(ctx_key() == "FAKE_KEY")
# Pull mol files for multiple chemicals by DTXSID
dtxsid <- c('DTXSID7020182', 'DTXSID2021315')
mol_files <- get_chemical_mol_batch(DTXSID = dtxsid)
# Pull mol files for multiple chemicals by DTXCID
dtxcid <- c('DTXCID30182', 'DTXCID001315')
mol_files <- get_chemical_mol_batch(DTXCID = dtxcid)
}