Reaction Enumeration

Demonstrates standard reaction-based library enumeration.

The dataset used in this example workflow was taken from ZINC (http://zinc.docking.org/).

Requirements:
- RDKit Community Nodes

Reaction Enumeration

 

Resources

EXAMPLES Server: 99_Community/03_RDKit/02_Reaction_Enumeration99_Community/03_RDKit/02_Reaction_Enumeration*
Download a zip-archive

 

 


* Find more about the Examples Server here.
The link will open the workflow directly in KNIME Analytics Platform (requirements: Windows; KNIME Analytics Platform must be installed with the Installer version 3.2.0 or higher). In other cases, please use the link to a zip-archive or open the provided path manually