classyfireR (version 0.1.2)

submit_classification: Submit InChI Code for Classification

Description

Submit and new entity for classification using the ClassyFire webserver

Usage

submit_classification(query, label, type = "STRUCTURE")

Arguments

query

a character string of InChI Code or SMILE

label

a character string of the query name

type

the label type (Default = STRUCTURE)

Value

if the classification has completed; a tibble containing the following;

• Level Classification level (kingdom, superclass, class and subclass)

• Classification The compound classification

• CHEMONT Chemical Ontology Identification code