0 ×

RDKit Molecule Fragmenter

RDKit Nodes for Knime version 4.0.1.v202006261025 by NIBR

Fragments a set of RDKit molecules into subgraphs

Options

RDKit Mol column
The column containing the molecules
Min Path Length
The minimum size (in bonds) of the subgraphs to be included.
Max Path Length
The maximum size (in bonds) of the subgraphs to be included.

Input Ports

Icon
Table with RDKit molecules

Output Ports

Icon
Fragments found in the table
Icon
Table with molecules and tagged fragments.

Best Friends (Incoming)

Best Friends (Outgoing)

Installation

To use this node in KNIME, install RDKit KNIME JUnit Test 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.