Databased MMP Example

This is a more complex Matched Molecular Pairs (MMP) example, in which we demonstrate storing fragmentations and transforms in a database, and adding new fragmentations and pairs from new molecules, as might be performed with routine updates to a registration or compound database.
The Vernalis fingerprint nodes are used to regenerate fingerprint columns from the databased representations

Databased MMP Example

 

Resources

EXAMPLES Server: 99_Community/04_Vernalis/04_Databased_MMP_Example99_Community/04_Vernalis/04_Databased_MMP_Example*
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