Percepta: Consider Absolv results and manage prediction equations

Description

Solution

To access and use the Absolv module in Percepta:
1. Open Percepta and select Absolv from the Prediction Modules dropdown menu.
2. Draw or load a chemical structure; atom contributions for the selected Abraham parameter will be color-mapped on the structure.
3. Review calculated Abraham solvation parameters in the right panel.
4. Review experimental values for similar structures in the bottom panel.
5. To view available Absolv equations and their references, select Equations under Absolv in the Prediction Modules dropdown menu
6. Click the eye icon to display selected equations on the Results pane.

To add or update Abraham-type equations (e.g., newer literature):
1. Select Equations under the Absolv tab in the Predictions Modules dropdown menu.
2. Open Equation Manager and click New to open Edit Equation window.
3. Enter the equation name, coefficients/values, category, descriptors, and include the appropriate references.

References note:
- The Absolv Help page lists core experimental datasets (some older). The in-application equations include more recent references (as recent as 2016) that better reflect the predefined Abraham-type equations used by Absolv.

Documentation links:
Absolv overview: https://perceptahelp.acdlabs.com/help_v2026/index.php/Absolv
Absolv equations and references: https://perceptahelp.acdlabs.com/help_v2026/index.php/Absolv_Equations