ADMET Predictor® User Manual

1.12.1. Histograms

1.12.1. Histograms

Clicking on a bar in a histogram launches the Compound attributes window, which lets you view the corresponding compounds and their attributes.

When a numeric attribute is plotted in a histogram, the compounds are binned automatically. There are 10 bins by default, but that can be changed using the Modify Chart icon at the far left of the toolbar. When a text attribute is plotted, each unique text value gets represented by a separate bar. The maximum number of text values displayed on a single page is 32; additional pages are created as required, and these can be viewed using the navigation buttons at the far right of the toolbar. Note that each text label is limited to at most 20 characters; longer labels are truncated using an ellipsis (...). 

Two sets of bars are displayed in two-color display mode: blue bars that correspond to data from spreadsheet rows that were not selected when the chart was created and red bars that correspond to the selected rows. This is a convenient way to compare the property distributions of two distinct compound subsets. The image below is an example of a two-color display. Note that the [Two-color display icon ]in the toolbar is highlighted.

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The plot does not update automatically in two-color display mode when the spreadsheet row selection is changed. You can, however, update the chart to reflect the current row selection by clicking on the Update Chart using Spreadsheet icon just to the right of the Two color display icon in the toolbar.

<Shift>-clicking on a bar in the histogram will replace the row selection set in the spreadsheet with the compounds that the selected bar represents. <Ctrl>-clicking will extend the current row selection with the compounds that the selected bar represents.