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Substructure Search

CheminformaticsCanvas
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Aug 19, 2023 7:55 AM
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Search a set of structures against a sketched query molecule or SMARTS patterns. Report the compounds that don't pass all the REOS filters. [Requires: Canvas]
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Created with KNIME Analytics Platform version 4.1.0 Note: Not all extensions may be displayed.
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    Schrödinger Extensions for KNIMETrusted extension

    Schrödinger

    Version 19.4.7

    schroedinger

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