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Mcule_searches

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This component searches the Mcule database via API, and appends the data to the existing input table. Please note that in case of the similarity and substructure searches, each search result is displayed in a different row, and the input data is therefore duplicated with each hit. If a molecule is not found, the input data will still be kept in the output file. The output file does not keep the order of the rows of the input file, and new RowIDs are assigned.

Component details

Input ports
  1. Type: Table
    A data table containing a column with the query molecules.
Output ports
  1. Type: Table
    A data table containing the search results appended to the input table.

Used extensions & nodes

Created with KNIME Analytics Platform version 4.5.2
  • KNIME Base nodes Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.2

  • KNIME Javasnippet Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.0

  • KNIME JSON-Processing Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.0

  • KNIME Quick Forms Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.2

  • KNIME REST Client Extension Trusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.5.1