Performs an R-Group decomposition for an input RDKit Mol column. The algorithm in RDKit was developed in 2018/2019. It is still in beta state and should be used with care. Results may vary in later versions.
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Popular Predecessors
Table Row to Variable7 %- RDKit From Molecule6 %
- Column Filter4 %
- RDKit Molecule Highlighting4 %
- GroupBy3 %
Row Splitter (deprecated)3 %- RDKit Find Murcko Scaffolds3 %
Column Rename3 %Table Reader2 %Variable Loop End2 %- RowID2 %
- SDF Reader2 %
- RDKit Canon SMILES2 %
- RDKit MCS2 %
- Table Creator2 %
Row Filter (deprecated)2 %- RDKit Molecule Substructure Filter2 %
RDKit Structure Normalizer2 %- MarvinSketch2 %
- MolConverter2 %
Joiner2 %- Molecule Type Cast2 %
- RDKit R-Group Decomposition2 %
- RDKit Substructure Filter2 %
- Table Row to Variable2 %
- Table Reader2 %
- HiLite Row Splitter2 %
- Structure Sketcher2 %
- RDKit R-Group Decomposition (deprecated)2 %
Table Row to Variable1 %- Group Loop Start1 %
- Reference Row Filter1 %
- Murcko Scaffold1 %
- Speedy SMILES Convert to Scaffold1 %
- Column Resorter1 %
- Joiner1 %
- Table Editor (JavaScript)1 %
- MCS Scaffold Finder< 1 %
CSV Reader< 1 %- Pivot< 1 %
- RDKit Generate Coords< 1 %
- RDKit To Molecule< 1 %
- Table Transposer< 1 %
- RDKit Molecule Fragmenter< 1 %
- Dearomatizer< 1 %
Variable to Table Column< 1 %File Reader< 1 %- Chunk Loop Start< 1 %
- Concatenate< 1 %
- String to Number< 1 %
- String Replacer< 1 %
- Counter Generation< 1 %
- OpenBabel< 1 %
- Molecular Properties< 1 %
- Substructure Search< 1 %
- RDKit Adjust Query Properties< 1 %
- RDKit Descriptor Calculation< 1 %
- RDKit Fingerprint< 1 %
- RDKit Remove Hs< 1 %
- Feature Remover< 1 %
- Speedy SMILES Remove Multicomponent molecules Splitter< 1 %
- MMP Show Cuttable Bonds (RDKit)< 1 %
- SMARTSViewer< 1 %
- Bemis-Murcko< 1 %
Loop End< 1 %- Duplicate Row Filter< 1 %
- Partitioning< 1 %
- Rule-based Row Splitter< 1 %
- Molfile Reader< 1 %
- Smiles Directory Reader< 1 %
- Parallel Chunk Start< 1 %
- Excel Reader< 1 %
- RDKit Add Hs< 1 %
- RDKit One Component Reaction< 1 %
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Workflows
01_R-Group_DecompositionKNIME Hub- 01_R-Group_DecompositionKNIME Hub
- 01_R-Group_Decomposition_embed_imagesKNIME Hub
- 01_R-Group_Decomposition_embed_imagesKNIME Hub
- 02_R_Group_Decomposition_solutionKNIME Hub
- Show all 31 workflows
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