Connectivity

Other

This node lets you handle unconnected CDK molecules. This is necessary because some algorithms won't work with unconnected structures. You have the choice to completely remove the compounds that contain unconnected molecules, remove all molecule parts except the biggest one, or keep all fragments as separate molecules.

Input Ports

  1. Type: Data
    Table containing molecular structures

Output Ports

  1. Type: Data
    As input but without unconnected molecules

Extension

This node is part of the extension

KNIME-CDK

v1.5.600

Short Link

Drag node into KNIME Analytics Platform