ChemRICH {MetChem}

ChemRICH Dataset

Description

This dataset consists of a list of the metabolites names download from https://chemrich.fiehnlab.ucdavis.edu/. HMDB IDs were retrieved from PubChem Identifier Exchange Service (https://pubchem.ncbi.nlm.nih.gov/idexchange/idexchange.cgi) and manually curated.

Usage

data(ChemRICH)

Value

A list with the following elements in the variable ChemRICH:

name

A vector of metabolite's names.

SMILES

A vector of SMILES represenation of each metabolite.

HMDB

A vector containing HMDB IDs of each metabolite.

Examples

 data(ChemRICH)