September 11, 2023

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Get Similar Reactions

Reactions in CAS SciFindern can now be explored by viewing similar reactions. These are categorized as broad, medium, or narrow in scope and relate to the specific reaction center. Reactions matching the reaction center are retrieved, and the degree of similarity to adjacent atoms is determined by user input.

To view similar reactions, select the three-dot menu presented on the single-step reaction summary:




Selecting Broad will retrieve reactions that share a reaction center with the selected reaction. Selecting Medium will retrieve reactions that share a reaction center as well as adjacent atoms. Selecting Narrow will retrieve reactions with a shared reaction center and extended atoms and bonds.

Once a selection is made, a new result set is displayed with similar reactions.


Similar reactions can also be retrieved from the reaction detail display.


Retrosynthesis Evidence Display

The retrosynthesis feature of CAS SciFindern is being enhanced by presenting critical evidence information directly in the retrosynthesis plan. This enables users to more easily review the conditions of each step.

To view the plan evidence, launch the evidence panel from the retrosynthesis plan:



Expanded Substance Experimental Properties

Coverage of substance experimental properties are expanding. Among these new properties are transition temperatures, fluid properties, dissociation constants, dipole moment data, and thermodynamic properties.


Display Solvent Information with Experimental Spectra

Experimental spectra have been enhanced by pulling forward solvent information to the table display. This allows users to quickly understand which spectra are of interest when reviewing a list.


Sort Suppliers by Price

Supplier results can now be sorted by price, either ascending or descending.