This node removes rows which contain broken bonds, i.e bonds where a numeric bond start index has no corresponding end index. This situation can occur where (rarely) a single component molecule has been rendered as a dot-disconnected SMILES string, e.g. ethane as 'C1.C1', in which case the SpeedySMILES desalter node will break these components apart to 2 'C1' components, each of which contains a 'broken' bond
This node was developed by Vernalis Research . For feedback and more information, please contact knime@vernalis.com
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- Speedy SMILES De-salt25 %
- Speedy SMILES Remove Dummy Atoms Filter15 %
- Column Filter10 %
- Speedy SMILES Component Count5 %
- Speedy SMILES Heavy Atom Count (HAC)5 %
- Speedy SMILES Explicit Chirality Splitter5 %
- Speedy SMILES Remove Multicomponent Molecules Filter5 %
- Speedy SMILES Organic Subset Molecules Filter5 %
- logP5 %
- MolConverter5 %
- String to URI5 %
- Molecule to CDK5 %
- Hydrogen Manipulator5 %
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