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Mass Scalar Descriptor

Implements Mass (total mass of molecule) value as a scalar descriptor. Is like molecular weight but it is actually mass, so we should call it mass and not weight.

Options

Filename: The path to the configuration XML file.
Structure column: The structure column.

Input Ports

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

Output Ports

: Output table that contains Mass scalar descriptor.

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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:

v4.3

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

Plugin provider: Infocom Corporation

Plugin version: 4.3.0.v211000

On NodePit since: 2020-12-06

Last update: 2024-12-11

Tags: Streamable

KNIME versions: From v4.0 to v4.6

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