0 ×

Speedy SMILES Element Count (C, N, O)

StreamableVernalis Speedy SMILES extension for KNIME Workbench version 1.27.0.v202008190633 by Vernalis (R&D), UK

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

Icon
Input Table containing a SMILES Column

Output Ports

Icon
Element counts (C, N, O)

Best Friends (Incoming)

Best Friends (Outgoing)

Workflows

Installation

To use this node in KNIME, install Vernalis KNIME Nodes from the following update site:

KNIME 4.2
Wait a sec! You want to explore and install nodes even faster? We highly recommend our NodePit for KNIME extension for your KNIME Analytics Platform.

Developers

You want to see the source code for this node? Click the following button and we’ll use our super-powers to find it for you.