This node converts one of the incoming columns with chemical structures into the aromatic form. The new column is appended to the input table or replaces an old target column.
Supported types:
- Molecule: String, SDF, Smiles, CML, Mol, InChI
- Reaction: String, RXN, SMILES
The node is based on the Indigo cheminformatics toolkit.
Options
Popular Successors
- Substructure Matcher10 %
- Conformers7 %
- MolConverter6 %
- Canonical SMILES5 %
- Hydrogen Adder4 %
- RDKit From Molecule4 %
- Dearomatizer4 %
- Standardizer4 %
- Standardizer4 %
- Column Filter4 %
- SDF Writer4 %
- Generate 2D Coordinates3 %
Column Appender3 %- Substructure Match Counter2 %
- End IF2 %
- Molecule Type Cast2 %
- OpenBabel2 %
- Aromatizer1 %
- MarvinView1 %
- Concatenate1 %
- GroupBy1 %
- Rule-based Row Splitter1 %
Excel Writer (XLS)1 %- RDKit To InChI1 %
- RDKit To Molecule1 %
- Atom Replacer< 1 %
- Bond Replacer< 1 %
- Combinatorial Reaction Enumeration (beta)< 1 %
- Feature Remover< 1 %
- Highlighter< 1 %
- InChi< 1 %
- Molecule Properties< 1 %
- Organic Splitter< 1 %
- R-Group Decomposer< 1 %
- Molecule Transformation (beta)< 1 %
Loop End< 1 %Concatenate (Optional in)< 1 %- Duplicate Row Filter< 1 %
- Nominal Value Row Filter< 1 %
Column Rename< 1 %- Column Splitter< 1 %
- RDKit Add Hs< 1 %
- RDKit Aromatizer< 1 %
- RDKit Molecule Substructure Filter< 1 %
- RDKit Find Murcko Scaffolds< 1 %
- RDKit Substructure Filter< 1 %
- RDKit Substructure Counter< 1 %
Views
- This node has no views
Workflows
Chemical grouping workflow 1.0.0KNIME Hub- QSAR-ready_2.5.8KNIME Hub
- QSAR-ready_2.5.8_knime_4.1KNIME Hub
Links
- No links available
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.