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Mcule_searches

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Apr 13, 2022 9:29 AM
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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
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    KNIME Base nodesTrusted extension

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    Version 4.5.2

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    KNIME REST Client ExtensionTrusted extension

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    Version 4.5.1

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

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