Retrieve Drug Molecules in MOL Format from the ChEMBL Database — getMolFromChEMBL • Rcpi

Retrieve Drug Molecules in MOL Format from the ChEMBL Database

Usage

getMolFromChEMBL(id, parallel = 5)

Arguments

id: A character vector, as the ChEMBL drug ID.
parallel: An integer, the parallel parameter, indicates how many process the user would like to use for retrieving the data (using RCurl), default is 5. For regular cases, we recommend a number less than 20.

Value

A length of id character vector, each element containing the corresponding drug molecule.

Details

This function retrieves drug molecules in MOL format from the ChEMBL database.

See also

See getSmiFromChEMBL for retrieving drug molecules in SMILES format from the ChEMBL database.

Examples

id = 'CHEMBL1430'  # Penicillamine
# \donttest{
getMolFromChEMBL(id)# }
#> [1] "\n<!doctype html>\n<html lang=\"en\">\n<head>\n  <title>Not Found</title>\n</head>\n<body>\n  <h1>Not Found</h1><p>The requested resource was not found on this server.</p>\n</body>\n</html>\n"