Fig. 2

The design of the TSR algorithm for representing 3D structures of chlorophyll and phylloquinone molecules. It illustrates the schema of how to decode chlorophyll and phylloquinone 3D structures to integers (TSR keys) and how to calculate pairwise structural similarities using the calculated TSR keys and the Generalized Jaccard coefficient approach. An example of common and specific keys is shown. A hypothetical hierarchical cluster result is also shown