minimalCompData

<p>A small dataset with three phytochemical compounds.</p>

datasets

Quantify and visualise various measures of chemical diversity and
dissimilarity, for phytochemical compounds and other sets of chemical
composition data. Importantly, these measures can incorporate biosynthetic
and/or structural properties of the chemical compounds, resulting in a more
comprehensive quantification of diversity and dissimilarity. For details,
see Petrén, Köllner and Junker (2023) <doi:10.1111/nph.18685>.

Hampus Petr<c3><a9>n

chemodiv

Analysing Chemodiversity of Phytochemical Data

Hampus Petrén

Tobias G. Köllner

Robert R. Junker

minimalCompData function

<p>A data frame with 3 rows and 3 columns. Each row is a phytochemical
compound. First column is a common name of the compound, second column is
the SMILES (Simplified Molecular-Input Line-Entry System) specification,
third column is the InChIKey (International Chemical Identifier).</p>

Format

Minimal compound dataset — minimalCompData

Minimal compound dataset

minimalCompData: Minimal compound dataset

Description

Usage

Arguments

Format