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String to Smiles

DeprecatedKNIME Chemistry Base nodes version 4.4.0.v202104131254 by KNIME AG, Zurich, Switzerland

This node wraps all cells of a column into Smiles cells. This node does no validation or parsing of the structures but simply marks the strings as being of Smiles type. The node will replace the column from the input table.

Options

Columns containing structures
Select the input column containing the molecule string.

Input Ports

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Table containing Smiles strings.

Output Ports

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Table with replaced column holding Smiles cells.

Installation

To use this node in KNIME, install KNIME Base Chemistry Types & Nodes from the following update site:

KNIME 4.4

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

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Developers

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