2024.2.1 Release Notes

Highlights of the Current Release

New and Improved Features

Molecule Search 

A color tool has been added to the Sketcher for 3D search.
The page now offers interactive filtering of molecule search results with a plot of 2D versus 3D similarity.
Grapheme depictions can now be displayed within 3D search.
For quick recall, query molecules can be saved or exported alongside hit lists.

UI Updates

The user interfaces of the Home and System Info pages have been upgraded for a more polished look and to provide additional database information on the Databases tab of the System Info page.

Enhanced Support for CXSMILES

Support for CXSMILES in Orion has been improved.

Bug Fixes

Floe results are shown more consistently when viewed in Project Data. After running a floe, the results of the floe can be seen by choosing the job under the Jobs tab of the Floe page. After clicking the View in Project Data button, the Project Data interface opens the folder to which the results were sent and displays the tag that was automatically applied to that dataset.
Consistent wording is used in two Data dialogs that move data. Namely, the ellipsis (…) action Move moves only a single item, and it now uses the singular word Item. The Move to Folder icon displays text showing the number of items selected and acts on the selected items; its dialog is now singular or plural, reflecting the number of selected items.
When running a 3D Similarity search in Molecule Search, if the requested number of hits was changed from the default, the default would continue to be displayed. This has been fixed.
Performance of Search by Title in the Molecule Search page has been improved substantially.

Information for Programmers

Managed Service customers can develop their own cubes and workflows for execution in Orion. For more information, see the Programming Guide.