The following node is available in the Open Source KNIME predictive analytics and data mining platform version 2.7.1. Discover over 1000 other nodes, as well as enterprise functionality at http://knime.com.

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 4.1.2 using OPSIN 1.3, molecules are translates into e.g. SMILES strings. If a term can not be translated a missing cell is returned.

Dialog Options

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

Ports

Input Ports
0 An input data table containing term cells.
Output Ports
0 An output table containing the input data with an additional string cell column.
This node is contained in KNIME Textprocessing Plug-in provided by KNIME GmbH, Konstanz, Germany.