- Updated Reaction Detail Page Design
- Normalize Sequence Search Queries
- Search Reactions by CAS Reaction Number
- Reaction Mapping Filter Update
Updated Reaction Detail Page Design
This feature provides an updated user interface for the reaction detail page to better organize data and introduce the concept of reaction transformation.
The specific changes to the display of reaction data include:
- Reaction scheme is centered on the page.
- Reaction overview, including number of steps and yield, is moved to the left side of the page.
- Location of source document information is on the left side of the page.
- Transformations are presented below reaction steps and protocols.
- Reaction notes are presented below reaction steps and protocols.
These changes, particularly the introduction of reaction transformation, will support an upcoming feature to allow grouping of reactions by transformation.
The enhancements to the reaction detail page can be viewed by performing a reaction search and navigating to a detail page. Below, changes to the user interface are indicated with a yellow outline.
Normalize Sequence Search Queries
This feature enables users to search sequences using a variety of input formats. Specifically, sequences can be searched using EMBL, GCG, and Genbank formats, and the query text is normalized on the user’s behalf to retrieve the desired results.
This normalization provides additional value for researchers by removing the need for manual editing of queries to match CAS sequence conventions.
From the home page, if a user selects a Biosequences BLAST search, they can copy and paste sequences in the supported formats for search.
EMBL Format
If the user’s input is in EMBL format, as below:
Then the query will be normalized to the following text for searching:
GCG Format
If the user’s input is in GCG format, as below:
Then the query will be normalized to the following text for searching:
Genbank Format
If the user’s input is in Genbank format, as below:
Then the query will be normalized to the following text for searching:
Search Reactions by CAS Reaction Number
This new search capability allows users to retrieve single-step reactions directly by searching the CAS Reaction Number. Searching by CAS Reaction Number also retrieves multi-step reactions containing the single step identified by CAS Reaction Number.
On the home page, the user is now informed of the option to search by CAS Reaction Number:
Upon entering a CAS Reaction Number and executing the query, the user is presented with the corresponding single-step reaction:
Reaction Mapping Filter Update
This feature updates the Reaction Mapping filter to include a No Mapping Data Available option to help users distinguish between mapped and unmapped reaction results. In addition, multi-step reactions are returned when the query contains a single structure with a specified reactant or reagent role. Note: If no role is specified, or if “any role” is specified, multi-step reactions will not be retrieved.
The No Mapping Data Available option is presented on reaction results pages when there are results with no mapping:
If a reaction role is specified for a single drawn substance search, multi-step reactions are now returned.