Fingerprint Clustering

The Finger Clustering node clusters molecules from the input table using the non-deterministic k-means clustering algorithm.

Options

Fingerprint Property: Select the fingerprint property to use for the clustering of the molecules.
Num. of Molecules: Select the number of molecules per cluster.
(Default: 10)

This node has no views

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.

To use this node in KNIME, install the extension LigandScout Extensions for the KNIME Workbench from the below update site following our NodePit Product and Node Installation Guide:

v5.2

A zipped version of the software site can be downloaded here.

Plugin provider: InteLigand GmbH

Plugin version: 1.9.3

On NodePit since: 2023-12-06

Last update: 2024-04-17

KNIME versions: v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.