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Shared Pharmacophore Creator

LigandScout Extensions for the KNIME Workbench version 1.8.0 by InteLigand GmbH

The Shared Pharmacophore Creator node generates shared pharmacophore models from given molecules and/or pharmacophores.



Align flexbily
If checked the node performs a flexible alignment.
Create one pharmacophore per cluster
If checked the node creates one pharmacophore model for each cluster. If the elements of a cluster can not be aligned, the cluster is skipped. Checking this option requires cluster information to be present in all input tables.

Input Ports

Table containing a list of pharmacophores
Table containing a list of molecules

Output Ports

Table containing the newly created shared pharmacophore model(s)

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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