November 12, 2019

  • Updated
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Filter Reactions by Publication Name

Users now have the ability to filter reaction result sets by Publication Name. The filter is located in the Source Publication section of the filters and is closed by default.


Publication names are sorted in the filter by descending count. If applicable, there will be a View All link that opens a large or extra-large filter in a pop-up window.

Search Multiple Substance Names, Registry Numbers, and Document Identifiers

Users are now able to search multiple substance names, registry numbers (RNs), and document identifiers in the Substance and All search types. Users can also use quotation marks (e.g., "carbon dioxide") to avoid hits on part of the name.

For example, the query taxol toluene carbon dioxide 865-21-4 returns 5 results.


However, the query taxol toluene "carbon dioxide" 865-21-4 will only return four results due to the quotation marks around “carbon dioxide” eliminating the hit on carbon.


ChemPlanner - Add Edit Structure Button to Substance Flyout Menu

There are some cases in the retrosynthesis planner where a modelable substance in a retrosynthesis plan will resolve to more than one registry number, contains a variable such as X, or is a predicted substance (future). In those cases, the ability to edit the structure has now been added to the substance flyout menu.

If the modelable substance contains a variable group containing an -X, -Bx, or -Cx, and the user models the substance within the structure editor, the variable group is converted according to the following rules:

  • X = Cl
  • Bx = Br
  • Cx = Cl


Clicking the Edit Structure button opens the structure editor populated with the appropriate structure.

Ordinals for Result Sets and PDF Downloads

Ordinals have been added to References, Substances, and Supplier result sets and result set PDF downloads.


Download .cxf, .mol, or .sdfile from the Substance Flyout Menu and Substance Detail Page

The ability to download .cxf, .mol, and .sdf files has been added to the substance flyout menu and substance detail pages.


Clicking an option in the menu downloads the appropriate file type.


If a substance has no structure or is not modelable, the download options are inactive.