Bioisostere replacement
Replaces functional groups of each input ligand with bioisosteres, generating all the single replacements, and creates a new LiveReport for each input structure.
[32287] 22.4.0
See details in https://kni.me/w/XCthI8G93mBSF2F9
Nodes
- Table Row to Variable17 ×
- Constant Value Column16 ×
- CASE Switch Data (End)12 ×
- Column Filter12 ×
- String Manipulation10 ×
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Extensions
- FeatureKNIME Base Chemistry Types & Nodes
- FeatureKNIME Base nodes
- FeatureKNIME Basic File System Connectors
- FeatureKNIME Data Generation
- FeatureKNIME Javasnippet
- FeatureKNIME JSON-Processing
- FeatureKNIME Math Expression (JEP)
- FeatureKNIME Quick Forms
- FeatureKNIME SVG Support
- FeatureRDKit Nodes Feature
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