This node returns the ring count of a SMILES Cell. More specifically, it returns the count of ring closure bonds. 'Broken' ring closure bonds (i.e. those with an end missing) will be flagged in the console log, and can be removed by pre-filtering with the 'Speedy SMILES Remove Broken Bonds' filter/splitter nodes
This node was developed by Vernalis Research . For feedback and more information, please contact knime@vernalis.com
Options
Popular Predecessors
Row Filter (deprecated)15 %- Smiles Directory Reader11 %
- Rule-based Row Filter11 %
- RDKit Canon SMILES9 %
- Molecule Type Cast6 %
- Speedy SMILES Element Count (C, N, O)5 %
- RDKit Molecule Extractor5 %
- Speedy SMILES Component Count4 %
- Speedy SMILES Heavy Atom Count (HAC)4 %
- Column List Loop Start3 %
Column Rename3 %- RDKit Substructure Filter3 %
Recursive Loop End3 %- Speedy SMILES Ring Count1 %
- Speedy SMILES De-salt1 %
- MarvinSketch1 %
Line Reader1 %- Concatenate1 %
- Column Filter1 %
Row Splitter (deprecated)1 %- OpenBabel1 %
- Java Snippet (simple)1 %
- Molecular Properties1 %
- RDKit Molecule Fragmenter1 %
- Row Sampling1 %
Views
- This node has no views
Workflows
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.