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Molecule Structure Sketcher

gcincilla profile image
VersionV1.1.0Latest, created on 
Jun 5, 2025 3:34 PM
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This component integrates the Molecule Widget for the general purpose to sketch a molecule or query structure.
Molecular structures can be output in the following format:
- SMILES
- SMARTS
- Mol
- InChI
- RXN
- Extended SMILES
- Mol V3000
- RXN V3000
The row and column header can be set from the configuration dialog. Also, the information to display as interactive view or WebPortal page can be tuned from the configuration dialog.

Component details

Output ports
  1. Type: Table
    Molecular structure
    Molecular structure

Used extensions & nodes

Created with KNIME Analytics Platform version 4.7.4
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    KNIME Base Chemistry Types & NodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.7.1

    knime
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    KNIME Base nodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.7.2

    knime
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    KNIME JavaScript ViewsTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.7.0

    knime
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    KNIME JavasnippetTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.7.0

    knime
  • Go to item
    KNIME Quick FormsTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.7.4

    knime

This component does not have nodes, extensions, nested components and related workflows

Legal

By using or downloading the component, you agree to our terms and conditions.

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