Chemical Terms

The Chemical Terms Evaluator is designed to evaluate mathematical expressions on molecules. These expressions usually have a chemical meaning formulated in ChemAxon's Chemical Terms Language using built-in chemical and general purpose functions.

Options

Chemical terms expression
The Chemical terms expression.
Column name
The Chemical terms column name.
Column type
The Chemical terms column type.
Structure column
The structure column.

Input Ports

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Input table that contains structure in Structure(Mrv, Sdf, Smiles, etc.) format.

Output Ports

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Output table that contains chemical terms.

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Installation

To use this node in KNIME, install the extension ChemAxon/Infocom JChem Extensions Feature 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: Infocom Corporation
Plugin version: 4.7.0.v240300
On NodePit since: 2024-07-09
Last update: 2024-11-23
Tags: Streamable
KNIME versions: v5.3, v5.2, v5.1, v4.7, v4.6, v4.5, v4.4, v4.3, v4.2, v4.1, v4.0

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