Allows to sketch molecular structure in the dialog. Upon execute, the structure is available in the output table, i.e. the table contains one row and one column.
Options
Popular Successors
- RDKit Molecule Substructure Filter5 %
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- 3D Viewer3 %
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- Concatenate2 %
- Cell Splitter2 %
- Substructure Matcher2 %
- SMARTSViewer2 %
- MolConverter2 %
- Table Row to Variable2 %
Column Rename2 %- Molecule Type Cast2 %
- OpenBabel2 %
- List Files/Folders2 %
- CDK to Molecule2 %
- Molecule to CDK2 %
- 3D Coordinates2 %
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- Naming< 1 %
- SDF Writer< 1 %
- 3D D-Similarity< 1 %
- Fingerprint Similarity< 1 %
- RDKit Substructure Filter< 1 %
- Reaxys Reactions< 1 %
- Reaxys Substances< 1 %
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- Virtual Screening Metrics< 1 %
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Tree Ensemble Predictor< 1 %Concatenate (Optional in)< 1 %Column Appender< 1 %- Column Appender< 1 %
- Constant Value Column< 1 %
- SDF Stripper< 1 %
- Distance Matrix Calculate< 1 %
- Similarity Search< 1 %
Python Script (1⇒1)< 1 %- Atom Signatures< 1 %
- 2D Coordinates< 1 %
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- Mass Calculator< 1 %
- OPSIN< 1 %
- RDKit Generate Coords< 1 %
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RDKit Functional Group Filter< 1 %- RDKit Find Murcko Scaffolds< 1 %
RDKit Structure Normalizer< 1 %
Views
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Workflows
Amide enumerationKNIME Forum- Amide enumerationKNIME Hub
- Amide enumerationKNIME Hub
- CHEESE SearchKNIME Hub
- Visualization ExampleKNIME Hub
Links
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Developers
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