This node calculates Murcko scaffolds of input molecules.
Supported types:
- Molecule: String, SDF, Smiles, CML, Mol, InChI
The node is based on the Indigo cheminformatics toolkit.
Options
Popular Successors
- Murcko Scaffold6 %
- Atom Replacer5 %
- Substructure Matcher5 %
- Canonical SMILES3 %
- MCS Scaffold Finder3 %
- Substructure Match Counter3 %
- Molecule Transformation (beta)3 %
- Category to Number3 %
- Duplicate Row Filter3 %
- RDKit Find Murcko Scaffolds3 %
- Molecule Properties3 %
- MolConverter3 %
- CSV Writer3 %
- GroupBy3 %
- SDF Writer3 %
- OpenBabel3 %
- RDKit Canon SMILES3 %
- RDKit Descriptor Calculation3 %
- Column Resorter2 %
- Joiner2 %
- Column Splitter2 %
Row Filter (deprecated)2 %- Value Counter2 %
- MoSS MCSS Molecule Similarity2 %
- RDKit R-Group Decomposition2 %
RDKit Structure Normalizer2 %- Indigo Fingerprint1 %
- Organic Splitter1 %
- R-Group Decomposer1 %
Table Row to Variable1 %CSV Writer1 %- Column Filter1 %
- Rule-based Row Filter1 %
- Molecule to CDK1 %
- Fingerprints1 %
- Substructure Search1 %
- RDKit MCS1 %
- RDKit Fingerprint1 %
- Component Separator< 1 %
- Feature Remover< 1 %
- InChi< 1 %
- Speedy SMILES Convert to Scaffold< 1 %
- Advanced MolConverter< 1 %
- R-group Decomposition< 1 %
- 2D/3D Scatterplot< 1 %
- Group Loop Start< 1 %
- Concatenate< 1 %
Column Appender< 1 %- Reference Row Filter< 1 %
- Reference Row Splitter< 1 %
Joiner< 1 %Column Rename< 1 %- Sorter< 1 %
- String Replacer< 1 %
- Rule-based Row Splitter< 1 %
- Molecule Type Cast< 1 %
- SDF Extractor< 1 %
- Counter Generation< 1 %
- Math Formula< 1 %
Excel Writer (XLS)< 1 %- Molecular Properties< 1 %
- RDKit Interactive Table< 1 %
- RDKit To Molecule< 1 %
- RDKit Substructure Counter< 1 %
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