Simple MMP Example

This workflow provides a simple example of generating matched molecular pairs (MMPs) from a set of compounds and using them to predict models with improved properties - in this case, CYP3A4 inhibition using ChEMBL data

Simple MMP Example

 

Resources

EXAMPLES Server: 99_Community/04_Vernalis/03_Simple_MMP_Example99_Community/04_Vernalis/03_Simple_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