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Diversity Picker

LigandScout Extensions for the KNIME Workbench version 1.7.9 by InteLigand GmbH

The Diversity Picker node finds the most diverse molecules from the input table (fingerprint selection).



Choose the algorithm to perform the selection.
(Default: deterministic)
Fingerprint Property
Select the fingerprint property to use for the selection of the molecules.
Num. of Molecules
Select the number of molecules to pick.
(Default: 10)

Input Ports

Table containing the molecules with a fingerprint property

Output Ports

Table containing the picked molecules

Best Friends (Incoming)

Best Friends (Outgoing)


To use this node in KNIME, install LigandScout Extensions for the KNIME Workbench from the following update site:


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