minimalNPCTable {chemodiv}R Documentation

Minimal NPClassifier table

Description

A table with the NPClassifier pathways, superclasses and classes, along with the compound names, smiles and inchikey. Generated by the NPCTable function used on the minimalCompData dataset.

Usage

minimalNPCTable

Format

A dataframe with 3 compounds and their NPClassifier classifications.


[Package chemodiv version 0.3.0 Index]