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

: An input data table containing term cells.

Output Ports

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

Popular Predecessors

Popular Successors

Views

This node has no views

Workflows

Developers

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.

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:

v5.3

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

Plugin provider: KNIME AG, Zurich, Switzerland

Plugin version: 5.3.2.v202409040940

On NodePit since: 2024-07-09

Last update: 2024-11-20

KNIME versions: Since v3.6

Deploy, schedule, execute, and monitor your KNIME workflows locally, in the cloud or on-premises – with our brand new NodePit Runner.

Try NodePit Runner!