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Pharmacophore/Molecule Alignment

LigandScout Extensions for the KNIME Workbench version 1.7.9 by InteLigand GmbH

The Pharmacophore/Molecular Alignement node aligns pharmacophore models and/or molecules (pharmacophore-based alignment).

Options

Settings

Align flexibly
Performs a flexible alignment.
(Default: disabled)
Interrupt if unalignable
Stops the execution if there are non-alignable elements.
(Default: disabled)

Input Ports

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Table containing the pharmacophores for the alignment
Icon
Table containing the molecules for the alignment

Output Ports

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Table containing the aligned output pharmacophores
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Table containing the aligned output molecules
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Table containing the pharmacophores which could not be aligned
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Table containing the molecules which could not be aligned

Best Friends (Incoming)

Best Friends (Outgoing)

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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