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Term To Structure

KNIME Textprocessing Plug-in version 4.4.0.v202106141441 by KNIME AG, Zurich, Switzerland

Converts the terms of the specified term column to molecule strings formatted by a specified format using the OSCAR framework (see https://bitbucket.org/wwmm/oscar4/overview for details). Based on OSCAR version 4.2.2 using OPSIN 1.6, molecules are translates into e.g. SMILES strings. If a term can not be translated a missing cell is returned.

Options

Term Column
The column containing the terms to convert into molecules descriptions.

Input Ports

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An input data table containing term cells.

Output Ports

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An output table containing the input data with an additional string cell column.

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

Installation

To use this node in KNIME, install KNIME Textprocessing 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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