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Similarity Viewer

Erlwood Knime Open Source Cheminformatics version 4.0.0.qualifier by Erlwood

Displays similarity matrix as a heat map. Also allows the sorting with a "query" molecule.

Options

Structures column
The column in the input table which contains chemical structures.
Distance/Similarity matrix
The column which contains the matrix (as calculated with "Distance Matrix Calculate" node from KnimeLabs).
Distance matrix
Select this option if the matrix selected above is a distance matrix. Otherwise a similarity matrix is assumed (default).

Input Ports

Icon
A data table with at least one column which contains chemical structures and at least one column which contains a distance or similarity matrix as calculated with "Distance Matrix Calculate" node from KnimeLabs

Views

Heat Map
A heat map view of the matrix
Similarity to target
Allows you to sort the input data using a "query" structure. That is, displays the most (dis)similar structures to the "query" on top.

Best Friends (Incoming)

Workflows

Developers

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