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
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Popular Successors
- Rule-based Row Filter14 %
Column Rename11 %Excel Writer (XLS)10 %- Column Appender6 %
Row Splitter (deprecated)6 %Row Filter (deprecated)6 %- Rule-based Row Splitter6 %
- Speedy SMILES Element Count (C, N, O)5 %
- GroupBy3 %
- Math Formula3 %
- Molecular Properties3 %
- Speedy SMILES Charge Count2 %
IF Switch (Flow Variable Value)2 %Cell Replacer2 %- RDKit Canon SMILES2 %
- Speedy SMILES Possible Stereoisomer Count1 %
- Speedy SMILES Heavy Atom Count (HAC)1 %
- Speedy SMILES Ring Count1 %
MMP Molecule Filter1 %- Topology Analysis1 %
- MolConverter1 %
- Concatenate1 %
Concatenate (Optional in)1 %Column Appender1 %- Column Filter1 %
- Rank1 %
- Sorter1 %
- Interactive Table (legacy)1 %
- Smiles Directory Writer1 %
RDKit Functional Group Filter1 %- RDKit Fingerprint1 %
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