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CHA Re-Score

LigandScout Extensions for the KNIME Workbench version 1.7.9 by InteLigand GmbH

The CHA Re-Score node reads hit-lists (usually from the activity profiling node) and re-scores them according to their activity profiles. The resulting new scores are added as molecule properties to the output table.

Options

Settings

Exclude all molecules with zero actvity profile
When this option is active, all molecules with a zero activity profile are excluded.
(Default: disabled)

Input Ports

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Table containing the hit-lists (molecule tables usually retrieved from the 'Activity Profiling' node)
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Table containing the pharmacophore models from the CHA Filter Node

Output Ports

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Table containing the molecules with CHA scores

Best Friends (Incoming)

Installation

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

KNIME 4.3

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Developers

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