CAS SciFinder Enhancements

"Are you looking for reactions?" feature

Have you ever entered a term such as "suzuki coupling" with the intent of searching reactions, but you forgot to change your search type? This new feature is designed to anticipate a user's intent to access a reaction based on the search query they entered. When this occurs, a new interaction is displayed, allowing you to quickly navigate directly to the identified reaction(s).

• Synthetic Depth elimination – the synthetic depth limit elimination expands options for plans presented to users, allowing them to find synthetic routes for large molecules requiring sequences of predicted steps.
• Plan options simplification – improvements to the plan options page include the removal of synthetic depth options and improved labeling. In addition, scoring profiles have been removed from the plan results page to improve usability.

Search by Molecular Formula

This new feature expands support to enable searching substances by molecular formula. This will include searching for Substances, Reactions, and Suppliers.

For those who previously searched by molecular formula in Substance Advanced Search, Hill reordering is applied to queries. With this new search capability, wild cards are not supported when using the main search bar.

"Are you looking for references?" feature

Have you ever entered a DOI into a search query but forgotten to change your search type? This new feature is designed to anticipate a user's intent to access a reference based on the search query they entered. When this occurs, a new interaction is displayed, allowing you to quickly navigate directly to the identified reference(s).

• Accessibility enhancements - Many updates have been made to improve accessibility in CAS SciFinder, including:
  • Support for screen reading technologies.
  • Keyboard navigation controls.
  • Visual contrast.
  • Alt text for images.

Search enhancements

We have implemented enhancements to your search experience when performing a few different types of queries:

• Substance search – Text search support has been expanded with new functional group and substance class search capabilities. This enables the discovery of substances by describing moieties contained and/or substances belonging to a class.
• Supplier search – Text searching for supplier information now supports searches using multiple substances, substance functional groups, and substance classes, resulting in broader discovery of supplier information with simpler searches.
• Reference search – You will now get personalized, relevant results based on your recent search trends boosted in your search results.

• Interface enhancements - The supplier results and details pages have been improved. You will now experience a cleaner presentation that is easier to review.

Retrosynthesis improvements

You will now experience more expansive and precise results when using the retrosynthesis tool in CAS SciFinder with:

• More precise stereochemical labeling, with corresponding updates to the relevance ranking of evidence.
• A 30% increase in coverage of unique stereoselective transformations.
• New filtering options on alternative steps to allow narrowing by stereochemistry.
• AI-optimized plan pricing estimates for commercially available compounds where pricing information is limited or incomplete.

• CAS Lexicon search clarity - Some users have expressed a need to better understand the searches they conduct using the CAS Lexicon. With this update, you will now see descriptions of searches that you perform within your Search History. Details such as preferred concept and broader, narrower, and related terms are now presented to more accurately describe the search performed and to show the relationship between the searched terms.
• Download enhancements:
  • Reference Detail downloads – Your reference search exports will now provide you with an option to include reactions data as part of your download. In the resulting export, reaction data will include links to view the reaction set or individual reactions.
  • Detailed Search History downloads – This download will now provide the same details on CAS Lexicon searches as noted above.

Natural language search for Reactions

When you perform a text-based Reaction search in CAS SciFinder, the solution will recognize and support queries using natural language. This means that searches using transformation names, substance classes, substance functional groups, and reaction participant roles (including solvents, reagents, and catalysts) will produce more targeted results.

• Filter by polymer class – You can now filter substances by polymer class terms. This allows you to narrow your search results to more effectively look for specific types of polymers.

Expanded workflows for Projects

CAS SciFinder now gives you the ability to download a Project for both references and substances. This will help you more effectively manage tasks such as generating a list of references to create citations, using findings to create a report, and sharing information with colleagues.

In addition, a new icon found on each reference in your search results makes it easy to add that specific reference to a Project.

• Experimental Properties downloads – Substance detail downloads have been updated to include expanded experimental properties, making more information available to you when you perform a download.

Downloads page

The new Downloads page gives you access to previously downloaded materials for 30 days. Exports from CAS Draw, the Citation Map, and substance modal are not available as saved downloads. Experimental and predicted spectra exports are also not available but will be soon.

• Reactions on Reference Detail page – Gain more clarity on the scope of work described in reference results. The reference detail page now contains a display of indexed reactions present in each piece of literature.

User interface improvements to reference details

The reference detail page in CAS SciFinder has been enhanced to provide you with greater clarity on CAS indexing in a result and to make more efficient use of screen space.

• A table of contents is now displayed as both an overview of available content and a way to quickly navigate to your area of interest.
• Bibliographic information is presented below the reference abstract and is closed by default but can be enabled to open by default with a sticky preference.

• "For You" enhancements – AI logic has been updated, providing additional recommendations to more users.
• Structure precision search – Search logic has been improved to increase query performance and provide the results that best meet your query.
• CAS Lexicon search – The user interface has been improved to help guide you through the process of creating a query using the CAS Lexicon.

Text-based reaction search improvements

Perform more powerful reaction searches with these new query-building enhancements:

• Multiple-term support enables you to search using multiple substance names, as well as mixed case queries containing substance names and identifiers, substance and document identifiers, or document and reaction identifiers.
• Improved Boolean language control allows greater command over specific terms when using Boolean operators in your query.
• Improved phrase query support facilitates combinations such as "synthesis of" to specify the desired product of a reaction, while typing "from" followed by a substance will return results including reactant and product.

• Send Alerts to multiple recipients – Create a single Alert targeting multiple team members to ensure everyone stays up to date on recent developments and relevant resources.
• Protecting group shortcuts in CAS Draw – Save time with this new feature that allows you to select from a list of protecting groups when structure searching.
• GHS Hazard filters – Find information in the GHS Hazard table faster using filters for code, hazard statement, class, and source.
• CAS Lexicon scope notes – Get a better understanding of concepts in the CAS Lexicon with short descriptions of concept terms.

Additional workflow options in "For You"

A new menu lets you quickly choose how to interact with recommended references:

• View these references will display up to 25 presented references as a result set where you can apply filters or visualizations.
• Add all to Project opens the Projects dialog where you can select an existing Project or create a new one. With the recent Project enhancements, this is an easy way to share recommendations with a colleague.
• Save all opens a save dialog to create a new saved item and add tags as desired.

• Display assignee in reaction results and downloads – Building on last month's addition of assignee information to references, this information can now also be found on reaction records.

Share Projects

You can now collaborate on research more effectively using Share Project. This new capability allows you to invite colleagues to view or edit Project content. Using the Share Project function can be accomplished with a created Project by following a few simple steps.

• Simplified navigation to user assets – A new toolbar menu provides quick access to Search History, Projects, Alerts, and Saved Items. The submit feedback button has also been moved from the screen to this location.
• Increased results per page – You can now view up to 100 references, substances, or suppliers on a single results page.
• Assignee display in reference results – Now visible below the reference title, this information shows organizations present in the result.
• GHS Hazard enhancement – Class data and sorting controls are now available in the table to help you navigate the data more effectively.