Matched Molecular Pairs (MMPs)

Vernalis Matched Molecular Pairs implementation

This category contains 18 nodes.

MMP Calculate Maximum Cuts Deprecated

This node calculates the maximum number of cuts which a molecule can support with the given fragmentation method

MMP Calculate Maximum Cuts (RDKit) Streamable

This node calculates the maximum number of cuts which a molecule can support with the given fragmentation method

MMP Fragmentation Type Loop Start 

This node allows simple looping through pre-defined fragmentation patterns

Uniquify IDs 

This node generates unique IDs for molecules where duplicates are detected