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  • Extract RDKit Molecules From Office
ComponentComponent

Extract RDKit Molecules From Office

Joos Kiener profile image

Last edited: 

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Extracts RDKit molecules out of png images embedded in MS Word or MS PowerPoint files. The images must have been generated with the RDKit version (>=2020_09_1). Since that version, RDKit adds the molecule information as metadata to the image and hence the molecule can be extracted again. The output contains a RDKit Molecule column and the index of the image it was extracted from. (No testing was done how Office products generate the images index, I would assume order of insertion and not order of pages/slides) If the image was generated with https://github.com/kienerj/molecule-slide-generator then in addition to the molecules, all it's properties are extracted as well into accordingly named table columns.

Component details

Output ports
  1. Type: Table
    Molecules
    RDKit Molecules

Used extensions & nodes

Created with KNIME Analytics Platform version 4.2.3
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    KNIME Base nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.3

    knime
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    KNIME File Handling Nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.1

    knime
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    KNIME Python Integration Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.3

    knime
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    KNIME Quick Forms Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.2.3

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

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