This workflow demonstrates how to to matched molecular pair analysis in KNIME and proposes a way how to deal with biological assa…

This workflow provides a simple example of generating matched molecular pairs (MMPs) from a set of compounds and using them to pr…

This workflow demonstrates a matched molecular pairs (MMP) analysis and the respective preprocessing of the molecules. The data h…

This is a more complex Matched Molecular Pairs (MMP) example, in which we demonstrate storing fragmentations and transforms in a …