GetChembl: Get information from ChEMBL

In shuyuzheng/TidyComb: Preparing drug combination data for DrugComb

Get information from ChEMBL

Description

GetChembl retrieves ChEMBL ID and max clinical trial phase of drugs accordint to standard InChIKey.

Usage

GetChembl(ids, info = c("chembl_id", "phase"), quiet = TRUE)

Arguments

ids	A vector of characters contains the InChIKey of drugs. Note: the leading and tailing whitespaces are not allowed.
info	A vector of characters contains the information user want to get from ChEMBL database. The available values are: "phase" Maximun clinical phase for input compounds. "molecular_formula" Molecula formula for input compounds. "inchikey" Standard InChIKey for input compounds. "smiles" Canonical SMILES for input compounds. "chembl_id" ChEMBL ID for input compounds.
quiet	A logical value. If it is TRUE, the error messages will not show during runing the function.

Details

GetChembl queries ChEMBL database via ChEMBL Web Services. The input drug identifier is standard InChIKey.

Value

A data frame contains reqired information for drugs and one column "input_id" for input identifier.

Author(s)

Jing Tang [e-mail] Shuyu Zheng [e-mail]

Examples

drug.info <- GetChembl("PMATZTZNYRCHOR-CGLBZJNRSA-N",
                       info = c("phase", "chembl_id", "inchikey"))

shuyuzheng/TidyComb documentation built on June 14, 2022, 6:40 a.m.