Get mol file by DTXSID or DTXCID
Usage
get_chemical_mol(
DTXSID = NULL,
DTXCID = NULL,
API_key = NULL,
Server = chemical_api_server,
verbose = FALSE
)
Arguments
- DTXSID
Chemical identifier DTXSID
- DTXCID
Chemical identifier DTXCID
- 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 string giving a mol file representation
Examples
if (FALSE) { # has_ctx_key() & is.na(ctx_key() == "FAKE_KEY")
# Pull mol file for BPA by dtxsid
bpa_mol <- get_chemical_mol(DTXSID = 'DTXSID7020182')
# Pull mol file for BPA by dtxcid
bpa_mol <- get_chemical_mol(DTXCID = 'DTXCID30182')
}