get_chemical_mol_batch {ccdR}

Get mol file by DTXSID or DTXCID batch

Description

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

# 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)