Speedy SMILES Element Count (C, N, O)

This node returns the C, N and/or O count(s) of a SMILES Cell.

This node was developed by Vernalis Research . For feedback and more information, please contact knime@vernalis.com

Options

Select SMILES column
The SMILES column, containing molecules
Carbon
Count the number of Carbon atoms
Nitrogen
Count the number of Nitrogen atoms
Oxygen
Count the number of Oxygen atoms

Input Ports

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Input Table containing a SMILES Column

Output Ports

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Element counts (C, N, O)

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Installation

To use this node in KNIME, install the extension Vernalis KNIME Nodes 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: Vernalis Research, UK
Plugin version: 1.36.7.v202405281205
On NodePit since: 2024-07-11
Last update: 2024-11-15
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, v3.7, v3.6

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