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

Icon
An input data table containing term cells.

Output Ports

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

Views

This node has no views

Workflows

Links

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.