This node returns the C, N and/or O count(s) of a SMILES Cell.
This node was developed by Vernalis Research . For feedback and more information, please contact knime@vernalis.com
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Popular Successors
Excel Writer (XLS)13 %- Rule-based Row Splitter9 %
Row Filter (deprecated)8 %- Speedy SMILES Heavy Atom Count (HAC)6 %
- Column Filter6 %
- Math Formula6 %
- Speedy SMILES Ring Count5 %
- Molecular Properties5 %
- Pie Chart (JFreeChart)4 %
- X-Partitioner3 %
Row Splitter (deprecated)3 %- Sorter3 %
Python Script (1⇒1)3 %- Speedy SMILES Dummy Atom Count1 %
- Speedy SMILES Element Count (C, N, O)1 %
- Speedy SMILES Remove f-block Metal-containing Molecules Filter1 %
- 1D Kernel Density Plot1 %
- Elemental Analysis1 %
- Chunk Loop Start1 %
- Column Merger1 %
Joiner1 %- Joiner1 %
- String Manipulation1 %
- Rule-based Row Filter1 %
- Table View (JavaScript)1 %
- Element Filter1 %
- Mass Calculator1 %
- Sum Formula1 %
- RDKit Calculate Charges1 %
- RDKit Canon SMILES1 %
- RDKit Descriptor Calculation1 %
- RDKit Find Murcko Scaffolds1 %
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Workflows
05_Speedy_SMILES_ChEMBL_Preprocessing_BenchmarkingKNIME Hub- Compound Filters for Drug DesignKNIME Hub
- Medicinal_chemistry_filters_v0_21KNIME Hub
- test-real-life-edge-casesKNIME Hub
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