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MolFragmenter

StreamableChemAxon/Infocom JChem Extensions version 4.0.0.v192100 by Infocom Corporation

MolFragmenter is a fast and simple method by fragmenting along functional groups but not destroying them, so no rules, no labelling is needed. This method can help to estimate toxicity of the molecules.

Options

The maximal count of CCQ bonds in fragments
Sets the maximal count of CCQ bonds in fragments to be created.
Set fragment cut aromatic CCQ bonds too
If checked, fragmenter will cut aromatic CCQ bonds too.
Set fragment cut CCQ bonds in aliphatic rings
If checked, fragmenter will cut CCQ bonds in aliphatic rings.
Set output molecules have all explicit hydrogens
If checked, output molecules will have all explicit hydrogens.
Structure column
The structure column.

Input Ports

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Input table that contains structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output Ports

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Output table that contains fragments structure in Marvin format.

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Best Friends (Outgoing)

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