Using Parameters from a Previous Experiment

When creating an experiment, you can use parameters values from a previously run experiment and make changes before running.

See Also
Creating and Running Experiments
Creating a New Experiment
Creating an Experiment from an Existing Iteration
  1. Begin creating an experiment. For more information, see Creating a New Experiment and Creating an Experiment from an Existing Iteration.
  2. Open the Parameters tab.
  3. Click Show Parameters Templates.
  4. Navigate to an experiment:

    • Tile View : Show the tile view.
    • Tree View : Show the hierarchy view.
    • List View : Show the list view.
    • Show all experiments/Show experiments using the TPP for this study : Show all available experiments, or only the ones that use the same TPP as the study.
    • Sort by date : Sort by date.
    • Sort by title : Sort by title.

  5. Click the down arrow for the experiment (In the Menu column for the hierarchy view) and choose Apply template. Alternatively, choose View details to view the parameter values, and then click Apply parameters .

    Note: Click the arrow and choose Quick view to see the top-level Generate and Filter values for the experiment.

    The molecules and parameter values from the selected experiment are loaded.
  6. Make changes to the Parameters.
  7. Click Save or Run.

    • Changes are saved when you click Run.
    • Once you run an experiment, you cannot make changes and run it again.
    • If you saved the experiment previously, you can navigate back to it and make additional changes and either Save changes or Run when you are ready.
    • Each GTD user can run up to four concurrent experiments.
    • Click Stop to cancel a running experiment.

After the experiment completes:
  • Review convergence charts after running an experiment to verify the optimization of properties. For more information, see Viewing Convergence.
  • View the results in GTD. For more information, see Opening Results.
  • If an experiment ended with no results, the filters and parameters responsible are summarized in the Comments tab.
  • The data is available in the Insight for Research app for further visualization and analysis. For more information, see the Insight for Research User's Guide. Also, the top molecules generated are available to users of the Materials Registration app.