MetChem (version 0.5)

HFD: HFD Dataset

Description

This dataset is dataframe of metabolite dataset contains only chemical information.

Usage

data(HFD)

Value

A list with the following elements in the variable HFD:

SMILES

A vector of SMILES represenation of each metabolite.

CHEMICAL_ID

A vector of chemical ID number or each metabolite.

PUBCHEM

A vector of identifier ID number from PUBCHEM database for chemical molecules and their activities in biological assays.

CHEMSPIDER

A vector of a unique identifier from CHEMSPIDER database each molecule.

HMDB

A vector containing HMDB IDs of each metabolite.

Examples

 data(HFD)