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Markush Overlap

Calculates the overlapping space between two Markush structures.

Options

Query structure column: The query structure column.
Target structure column: The target structure column.

Input Ports

: Input table that contains query structure in Structure(Mrv, Sdf, Smiles, etc.) format.
: Input table that contains target structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output Ports

: Output table that contains overlapping space.

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Installation

To use this node in KNIME, install the extension ChemAxon/Infocom JChem Extensions Feature from the below update site following our NodePit Product and Node Installation Guide:

v4.2

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

Plugin provider: Infocom Corporation

Plugin version: 4.0.0.v192100

On NodePit since: 2020-07-13

Last update: 2024-04-14

KNIME versions: From v4.0 to v4.2

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