This node adds missing hydrogens to CDK molecules and forces all hydrogens to be implicit. Stereochemistry is converted onto non-terminal bonds.
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- MolConverter6 %
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Table to PDF4 %- RDKit Generate Coords4 %
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- CDK to Molecule3 %
- Molecular Properties3 %
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- Substructure Match Counter2 %
RDKit Structure Normalizer2 %- Group Loop Start2 %
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Excel Writer (XLS)2 %- Molecule to CDK2 %
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RDKit Functional Group Filter1 %- RDKit From Molecule1 %
- Hydrogen Adder< 1 %
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CSV Writer< 1 %- Chunk Loop Start< 1 %
Random Forest Predictor< 1 %Cell Splitter< 1 %- Column Name Extractor< 1 %
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Row Splitter (deprecated)< 1 %Joiner< 1 %Column Rename< 1 %- Parallel Chunk End< 1 %
- Connectivity< 1 %
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- Depiction< 1 %
- Hydrogen Manipulator< 1 %
- RDKit Add Hs< 1 %
- RDKit Chemical Transformation< 1 %
- RDKit Molecule Substructure Filter< 1 %
- RDKit Optimize Geometry< 1 %
- RDKit Fingerprint< 1 %
- RDKit Remove Hs< 1 %
- RDKit Substructure Counter< 1 %
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