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CHA Re-Score

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

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

Output Ports

: Table containing the molecules with CHA scores

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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:

v5.3

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

Plugin provider: InteLigand GmbH

Plugin version: 1.9.3

On NodePit since: 2024-07-09

Last update: 2024-12-20

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

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