Changelog¶

PolyDrug Database¶

The documentation is now hosted on a dedicated domain: https://docs.polydrug.uni-jena.de/
Improvements
- Add support for FH Parameter and Miscibility predictions based on SMILES or molecular structures
- Add a hover effect to the histogram to improve the visibility of the current histogram bin
New features
- Add Phase Diagram to visualize the variation of the Gibbs Energy with 2D contour plot
- Add FH Table to display the Flory-Huggins Chi (χ) values for mixtures from the Polymer Property Predictor and Database

Improvements
- Add a hover effect to the histogram to improve the visibility of the current histogram bin
- Minor styling improvements to the table header
Bug fixes:
- Fixed the histogram bin size issue in overlay mode. This is a bug in Plotly.

Improvements
- Add an info modal for general errors from Ketcher.
Performance
- Improved table rendering performance. (this is ongoing work, and we will continue to improve it)
Bug fixes:
- Fixed following issues in Advanced search controls (Filter):
  - The "Clear" button now properly clears the current search criteria instead of only the last one.
  - The AND/OR conditions now behave correctly after using the "Clear all" button.

Add new dataset
Add molecular structure drawing feature with Ketcher
Add support for solubility and miscibility prediction based on SMILES or molecular structures
Add PubChem APIs as fallback when data is unavailable in our own database
Improve UI/UX