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.

Best Friends (Incoming)

• String To Term (17 %) 
• Bag Of Words Creator (9 %) 
• Document Data Extractor (9 %) Deprecated
• BARD Search by Structure (4 %) 
• File Reader (4 %) Streamable
• GroupBy (4 %) 
• Joiner (4 %) 
• Column Rename (4 %) Streamable
• Term Co-Occurrence Counter (4 %) 
• DF (4 %) 
• TF (4 %) 
• Oscar tagger (4 %) StreamableDeprecated
• POS tagger (4 %) StreamableDeprecated
• Bag of Words Creator (4 %) Deprecated
• Sentence Extractor (4 %) 
• Strings To Document (4 %) StreamableDeprecated
• Tags To String (4 %) 
• Term To String (4 %) 
• Show all 18 recommendations

Best Friends (Outgoing)

• Molecule Type Cast (16 %) Streamable
• Column Filter (5 %) Streamable
• Joiner (5 %) 
• SDF Writer (5 %) 
• Term Document Entropy (5 %) 
• TF (5 %) 
• String To Term (5 %) 
• RDKit To InChI (5 %) Streamable
• Row Filter (5 %) Streamable
• Rule Engine (5 %) Streamable
• Category To Class (5 %) 
• Dictionary Replacer (File-based) (5 %) Streamable
• Number Filter (5 %) Streamable
• Bag of Words Creator (5 %) Deprecated
• Tags To String (5 %) 
• Term To String (5 %) 
• Substructure Search (5 %) 
• Show all 17 recommendations

Workflows

• text2str (NodePit Space) 

Installation

To use this node in KNIME, install KNIME Textprocessing from the following update site:

A zipped version of the software site can be downloaded here. Read our FAQs to get instructions about how to install nodes from a zipped update site.

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.