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Retrieve SDF Data from PubChem and Save as File

get_sdf.Rd

This function sends a request to PubChem to retrieve data in SDF format based on the specified parameters. It then saves the retrieved data as an SDF file in the current working directory.

Usage

get_sdf(
  identifier,
  namespace = "cid",
  domain = "compound",
  operation = NULL,
  searchtype = NULL,
  path = NULL,
  file_name = NULL,
  options = NULL
)

Arguments

identifier

A character or numeric value specifying the identifier for the request.

namespace

A character string specifying the namespace for the request. Default is 'cid'.

domain

A character string specifying the domain for the request. Default is 'compound'.

operation

An optional character string specifying the operation for the request.

searchtype

An optional character string specifying the search type.

path

A string indicating the path to the folder where the SDF files will be saved. Default is NULL (i.e., saves the file into a temporary folder).

file_name

A string. File name for downloaded SDF file. If NULL, "file" is used as the file name. Default is NULL.

options

Additional parameters to be passed to the request.

Value

NULL. The function saves the retrieved data as an SDF file in the current working directory and prints a message indicating the file's location.

Examples

get_sdf(
  identifier = "aspirin",
  namespace = "name",
  path = NULL
)
#> 'path' is not specified. Saving files into a temporary folder.
#>   SDF file to save --> 'aspirin_2023-12-19_13_29_42.sdf'
#>   Saved into folder --> /var/folders/dr/pwksczrd3gg7sxbphrjs5twh0000gn/T//RtmpfYQRgC
#>   Completed options