Term to Structure

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.

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Installation

To use this node in KNIME, install the extension KNIME Textprocessing from the below update site following our NodePit Product and Node Installation Guide:

v5.4

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

Plugin provider: KNIME AG, Zurich, Switzerland
Plugin version: 5.4.0.v202409110759
On NodePit since: 2024-12-06
Last update: 2024-12-21
KNIME versions: Since v3.6

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