This node is used for removing salts from RDKit molecules and display the salt stripped molecules in an additional column in the output table. The user can optionally input salt definitions into the node. If no salt definition table is provided by the user then the default salt definitions will be applied.
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Popular Successors
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- RDKit Canon SMILES5 %
Row Filter (deprecated)3 %- RDKit Fingerprint3 %
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CSV Writer1 %Column Rename1 %- RDKit Add Hs1 %
- RDKit To Molecule1 %
- CSV Writer1 %
- Connectivity1 %
- RDKit Molecule Catalog Filter1 %
- Canonical SMILES< 1 %
Joiner< 1 %- Renderer to Image< 1 %
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Row Splitter (deprecated)< 1 %- Row Sampling< 1 %
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- RDKit Salt Stripper< 1 %
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- Strings to Binary Objects< 1 %
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Python Script (1⇒1)< 1 %- RDKit Interactive Table< 1 %
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Excel Writer (XLS)< 1 %- Java Snippet Row Splitter< 1 %
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- Molecule Transformation (beta)< 1 %
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Table Row To Variable Loop Start< 1 %Table Writer< 1 %Loop End< 1 %Concatenate (Optional in)< 1 %- Column Merger< 1 %
- Partitioning< 1 %
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- Rule-based Row Splitter< 1 %
- Numeric Outliers< 1 %
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- Cache< 1 %
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Excel Writer (XLS)< 1 %- External Tool (Labs)< 1 %
Python Script (1⇒2)< 1 %- Python Script (legacy)< 1 %
- CDK to Molecule< 1 %
- Molecule to CDK< 1 %
- 3D Coordinates< 1 %
- XLogP< 1 %
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Workflows
(3D) Fragment library design workflowKNIME Hub- 01_Clustering_and_Interactive_Compound_SelectionKNIME Hub
- 01_Data Access and TransformationKNIME Hub
- 01_Data Access and TransformationKNIME Hub
- 02_Bioactivity_Prediction_TransformKNIME Hub
- Show all 40 workflows
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