Ligand-Set Creator

The ligand-Set Creator node creates a ligand-set from input trainig-, test- and ignored-set molecule tables.

Input Ports

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Table containing the training-set molecules
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Table containing the test-set molecules
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Table containing the ignored-set molecules
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Table containing one pharmacophore

Output Ports

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The created output ligand-set port-object

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Installation

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: 2024-04-26
KNIME versions: v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0

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