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Molecule Validator

The Molecule Validator node processes input molecules and checks whether they can be parsed correctly.
Valid molecules are placed into the first output, invalid molecules into the second output.

Options

Settings

Fail on error: If enabled the execution of this node fails with an error if any input molecule cannot be parsed correctly. Due to parallel execution multiple invalid molecules might be identified before execution is stopped.
(Default: Disabled)

Input Ports

: Table containing molecules to parse and check for correctness

Output Ports

: Table containing molecules that could be parsed correctly
: Table containing failed molecules with parsing errors

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Installation

To use this node in KNIME, install the extension LigandScout Extensions for the KNIME Workbench from the below update site following our NodePit Product and Node Installation Guide:

v5.3

A zipped version of the software site can be downloaded here.

Plugin provider: InteLigand GmbH

Plugin version: 1.9.3

On NodePit since: 2024-07-09

Last update: 2024-12-13

KNIME versions: v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3

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