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CSV-SMILES File Handling

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VersionV1.4.0Latest, created on 
Jun 5, 2025 2:09 PM
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This component is intended to handle SMILES coming from a CSV file. Molecule structure column is casted as SMILES, names as desired ("Molecule" by default), and set as the first column. Molecule id is set as row id. Other columns are kept or discarded according with selection and casted accrding to their type (the type order is to first check if the values are dates, then integer, long, double, and finally string).

Component details

Input ports
  1. Type: Table
    SMILES table
    Table containing molecule structures in SMILES format.
Output ports
  1. Type: Table
    SMILES table
    Output SMILES table.

Used extensions & nodes

Created with KNIME Analytics Platform version 4.7.4
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    KNIME Base Chemistry Types & NodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.7.1

    knime
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    KNIME Base nodesTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.7.2

    knime
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    KNIME JavaScript ViewsTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.7.0

    knime
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    KNIME JavasnippetTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.7.0

    knime
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    KNIME Quick FormsTrusted extension

    KNIME AG, Zurich, Switzerland

    Version 4.7.4

    knime

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

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

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