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Reactions with RDKit

Life Sciences Cheminformatics Computational Chemistry RDKit

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This workflow demonstrates the one and two component reaction nodes from the RDKit community extension. This worklfow demonstrates the functionality of the One and Two Component Reaction nodes from the RDKit extension. The One Component reaction is using one reactant, the Two Component reaction is using two reactants. The reaction is given as RXN. This workflow version is indended for users on KNIME version 4.3 and younger. It uses the Molecular Sketcher component that is based on the Molecule Widget node to draw the reaction.

Used extensions & nodes

Created with KNIME Analytics Platform version 4.3.1 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 JavaScript Views 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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    KNIME SVG Support 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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