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Tree analysis

Tree analysis can be run on pathways from a previously saved result. Here we will use the completed tree builder result from the [previous section](03 Automatic planning using MCTS for a given target molecule).

Basic-TB-4

Expand the dropdown (to the far right of the result) for more options for visualization and analysis. Click on VIEW TREES, which will bring up the TREE EXPLORER, a tab on the same page as INTERACTIVE PATH PLANNER.

For simplicity, we will show how to do just one of the analyses, computing the Process Mass Intensity (PMI) for a particular tree.

  1. Select the first tree (TREE 1 of 200)
  2. Click RUN PMI CALCULATION>For this tree only
  3. Click OK in the pop-up.

Basic-TA-1

Refresh the page to see the Avg. PMI (with a value 13) appended to the metadata section of the canvas.

Basic-TA-2

The other tree analysis tasks work in the similar way, although some might take longer. More details can be found in [3.3 More tree analysis examples](3.3 More tree analysis examples).

Released under the MIT License.