Correlation
You can perform correlation analysis using the Binding score and Experimental values of molecules from the Ref. Molecule page.
1. How to Run Correlation
After selecting molecules on the Ref. Molecule page, click the Correlation button to open the Generate Correlation Graph window.
The maximum number of molecules that can be used to generate a correlation graph is 1,000.
In the graph generation screen, check the following items:
X-axis: Binding score of the active protein in the current Ref. Molecule page
Y-axis: Data from the experimental value field selected in the Ref. Molecule page
Included molecules: Only molecules that contain data for both X-axis and Y-axis fields will be included in the correlation graph.
Once the setup is complete, click Confirm to generate the correlation graph.
The generated graph will open in a new tab.
2. Correlation Graph
2.1. Graph Information Section
This section provides the following details and settings:
Target protein
Information on the active protein in the current Ref. Molecule page.
R²
Calculated value using the data from both X-axis and Y-axis.
P-Value
P-value calculated from the correlation graph.
X-axis value
Binding score field of the active protein used during correlation execution.
Y-axis value
Experimental value field set in the Ref. Molecule page.
Marker color
Allows you to change the color of markers in the correlation graph.
Marker size
Adjusts the marker size (up to 5 levels).
Label
Click a marker on the graph to display molecule information as a label. Available information includes
Molecule name
Structure.
Label size
Adjusts the size of the label (up to 5 levels).
2.2. Correlation Graph Area
This area provides the following functions:
R²
Calculated value using data from X-axis and Y-axis.
P-Value
P-value displayed on the correlation graph.
Graph title
Title of the correlation graph, shown based on the Binding score and experimental value fields of the active protein.
Screenshot
Click the button to download the currently displayed correlation graph as a PNG file.
Correlation graph
Displays the correlation plot and trend line for the selected molecules.
2.3. Molecule Information Section
This section provides details and controls for each molecule:
Label
Toggle to show or hide the label of a specific molecule on the correlation graph.
Molecule name
Name of the molecule.
Structure
2D structure of the molecule.
X
Binding score of the active protein set as the X-axis value.
Y
Experimental value set as the Y-axis value in Ref. Molecule.
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