Enrichment Plotter

This Node Is Deprecated — This node is kept for backwards-compatibility, but the usage in new workflows is no longer recommended. The documentation below might contain more information.

This node draws enrichment curves often used in virtual screening. For this the user can choose a column by which the data is sorted and represents the x-axis. The values on the y-axis are formed by the sum of the hits in a second column that is also selected by the user. A row is considered a hit if the value is greater than 0. The steeper the resulting curve, the better the enrichment is. Optionally the y-axis can show the sum of the hit values instead of the number of hits.
The two gray lines in the view show the enrichment if the data points were ordered randomly (lower diagonal) and the optimal enrichment if all hits are ordered before the first non-hit (upper diagonal).

Options

Sort column
Select the column by which the rows should be sorted and plotted as the x-axis.
Hit column
Select the column that contains the hit values.
Sort descending
Checking this before adding a curve sorts the data points in the sort column descendingly instead if ascendingly. This is a setting specific to each curve.
Plot sum of hit values
Check this if the y-axis should show the sum of the values in the hit column.
Hit threshold
Check this and enter a threshold if the y-axis should show the sum of data points that have values equal or greater than the threshold.
Minimum molecules per cluster
If discovered clusters are plotted, this setting controls how many molecules from the cluster must have been found before the whole clusters is considered "found".

Input Ports

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Input data with predicted values and actual values

Output Ports

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A one-column table with the area(s) under the enrichment curve(s)
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Table with the discovery rates (either hits or clusters) for the different curves at selected points (given as fraction of the complete dataset).

Popular Successors

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Views

Enrichment Plot
Enrichment plot

Workflows

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Further Links

Developers

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