Tautomer Generator

AMBIT's tautomer generator to enumerate viable tautomers for CDK molecules. Either the single most viable tautomer or all possible tautomers can be generated.

Ambit-Tautomer: An Open Source Tool for Tautomer Generation. DOI: 10.1002/minf.201200133

AMBIT RESTful web services: an implementation of the OpenTox application programming interface. DOI: 10.1186/1758-2946-3-18

Options

Column with molecules: Select the column that contains molecules.
Mode: Whether all tautomers or just the best should be generated.

Input Ports

: Table with CDK molecules.

Output Ports

: Table with CDK tautomers.

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Installation

To use this node in KNIME, install the extension KNIME-CDK 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: KNIME GmbH, Konstanz and EMBL-EBI, Cambridge

Plugin version: 1.5.700.v202407101048

On NodePit since: 2024-07-11

Last update: 2024-11-21

KNIME versions: v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0, v3.7, v3.6

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