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Formula Search

StreamableChemAxon/Infocom JChem Extensions version 4.3.0.v202000 by Infocom Corporation

Determines whether a target structure formula contains a query structure formula. Upon execution the molecules from the input table are filtered. The all molecules that contain the query structure formula.

Options

Query structure / formula column
The query structure / formula column.
Target structure / formula column
The target structure / formula column.
Search type
Sets different search options according to a predefined search type.

Input Ports

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

Output Ports

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Output table that contains search result structure in Structure(Mrv, Sdf, Smiles, etc.) format or string formula.
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Output table that contains other than search result structure in Structure(Mrv, Sdf, Smiles, etc.) format or string formula.

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install ChemAxon/Infocom JChem Extensions Feature from the following update site:

KNIME 4.3

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Developers

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