Enrichment Viewer Panel

Displays the results of a hypothesis validation, showing enrichment metrics for each hypothesis and giving access to full reports and plots.

To open this panel, click the Tasks button and browse to Ligand-Based Virtual Screening → Enrichment Viewer.

  • Features
  • Additional Resources

Enrichment Viewer Panel Features

Import results text box and Browse button

Import results that were generated using the Hypotheses Validation panel (-out.hits) or from the Develop Pharmacophore Model panel (_phypo.maegz). For the latter, the pharmacophore model must be one that was based on multiple ligands, where a set of actives and decoys is used to score the hypotheses.

To import the results, enter the file name in the text box or click Browse and navigate to the file in the file selector that opens.

Results table

Shows the results of the validation for the hypotheses chosen for validation. The table columns show the hypothesis name, the metrics selected with the Show metrics option menu, the minimum number of sites required to match (Matches), and whether excluded volumes were used. You can select a single hypothesis row for other actions, such as displaying reports and plots.

Show metrics option menu

Choose the metrics to show in the table as table columns. Each item has a check box for showing or hiding the metric in the table. The metrics that are shown are listed on the option menu.

Enrichment Report button

Show a detailed enrichment report for the hypothesis that is selected in the results table. This is a plain text report that you can copy and paste into a document. For more information on enrichment metrics and reports, see the Enrichment Calculator Panel topic.

% Screen Plot button

Show a plot of the percentage of actives recovered as a function of the percentage of ligands screened for the hypothesis that is selected in the results table. The plot panel has a standard Plot Toolbar, which you can use to save an image of the plot or copy it to the clipboard.

ROC Plot button

Show a ROC plot for the hypothesis that is selected in the results table. The plot panel has a standard Plot Toolbar, which you can use to save an image of the plot or copy it to the clipboard.

Reset button

Clear all data from the panel and reset the settings to the defaults.

Export button

Export the data in the table to a CSV file. Opens a file selector in which you can navigate to a location and save the file.

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