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KNIME 5.9
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Vernalis
Speedy SMILES
Manipulations

Manipulations

This category contains 16 nodes.

Speedy SMILES Dummy Atom Isotope to Atom Class Label Streamable

Node to move dummy atom isotopes to atom class labels

Speedy SMILES Enumerate Stereoisomers Streamable

Node to enumerate all isomer combinations of explicitly defined stereocentres

Speedy SMILES Invert Stereochemistry Streamable

Node to invert explicitly defined stereocentres

Speedy SMILES Replace Dummy Atom Streamable

Node to replace dummy atoms with an alternative atom

Speedy SMILES Strip Double Bond Geometry Streamable

Node to strip out explicitly defined double bond geometry labels

Speedy SMILES Strip Stereochemistry Streamable

Node to strip out explicitly defined stereocentre labels

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