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Using the Molecular Sketcher component

Cheminformatics Molecule Sketcher Life Sciences

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This workflow demonstrates the use of the molecular sketcher component, which can be used to draw chemical structures. The component is based on the Molecule Widget node (4.3 and later). Here, an input molecule (SMILES) is given as flow variable and then modified in the sketcher. The different structures can be compared in the output table of the Concatenate node, where the upper row contains the modified molecule and the lower row the input molecule.

External resources

  • Ketcher chemical structure editor

Used extensions & nodes

Created with KNIME Analytics Platform version 4.3.0 Note: Not all extensions may be displayed.
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    KNIME Base Chemistry Types & Nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.3.0

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    KNIME Base nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.3.0

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    KNIME Quick Forms Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.3.0

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    RDKit KNIME integration Trusted extension

    NIBR

    Version 4.1.0

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