NodeActivity Cliffs Viewer


Structures and activities of molecules is best viewed in the context of chemical neighbourhood. In the network view, molecules are represented by nodes coloured according to chosen property. A pair of nodes is connected based on an edge similarity cutoff provided in options. The edge is coloured in green if the ratio of activity difference to chemical distance is higher than the "cliff" cutoff set in options.

Input Ports

  1. Port Type: Data
    Smiles, names and properties of molecules should be provided here.
  2. Port Type: Data
    NxN matrix of pairwise molecular distances should be provided here, say as output by MolPairDist node.

Output Ports

  1. Port Type: Data
    Import 0 is copied here.