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OPSIN

KNIME CDK Integration version 1.5.700.v202006231106 by KNIME GmbH, Konstanz and EMBL-EBI, Cambridge

Converts a valid IUPAC name into any of the following: png, cml, inchi, smiles, cdk molecule. The node uses the OPSIN (Open Parser for Systematic IUPAC nomenclature) web service for conversion.

Options

IUPAC name column
IUPAC names column in input table.
Conversion formats
Defines the return formats for the output table.

Input Ports

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Table containing IUPAC names.

Output Ports

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Table containing the retrieved formats.

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install KNIME-CDK from the following update site:

KNIME 4.2
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Developers

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