Projects

Project Portal Enhancements:

• The user can choose which columns to download.
• The table sorting and loading speed is improved.
• Added chemistry/biology role permissions to download data and structures from the project portal via SDF or CSV.

Multi-Projects:

• Parents and Batches can now be added to multiple projects.
• A Subprojects option can be added to RegMol via a configuration. Subproject will now have distinct child tables from the Parent Project e.g. Project Members can have separate access permissions for subprojects and Project Portal will display only the Entities for that subproject.

Assay Protocols and Views

Assay View:

• Assay View Chart information axis display improvements: added label rotate and bottom margin options.
• Added informational pop-up message when saving a view while the data was aggregated by parent.
• Added informational message when sorting, then aggregating by parent. As sorting is not a function with “Aggregate By Parent”, a message will pop up "By parent case sorting is currently not implemented".             
• A ‘structure size’ option is added to the Assay View toolbar to select the display size of the structures in the structure column.
• The name of the Assay View is now visible on the Assay View edit page.
• General performance enhancements to the Assay View page.
• Additional checks are added for deletion-related permissions:
  • Admins are not allowed to delete Data Field columns in Protocols that already contain values. A message will be displayed if trying to delete.
  • Admins are allowed to delete columns that have no values yet.
  • If admins attempt to delete protocol columns that have no values but are already added to assay view(s), a prompt appears with instructions for how to proceed.

Assay Protocols:

• Added a friendly prompt that the protocol column can't be deleted when it contains existing values.
• Wildcard search added for assay results for the following columns: Alias, plateno, well, author, expno.
• Added page counts to Protocol and Data Fields tabs.
• Added the ‘Clear Filter’ function in the Protocol List table.
• Admin users can now add Protocols to a Project directly from the Projects tab in the Protocols submenu of the Assay admin menu function page.             
• Chinese characters can now be displayed in a Data Reader name field.

Cross-application Integration

Inventory and RegMol Sync changes

• A new ‘multi-projects’ feature for syncing projects between RegMol and Inventory via Project Codes has been implemented. For an integrated system, once synced any project added or edited in RegMol or Inventory will update in both apps.
• Project Code, Name, Category, and Status (closed/open) will be synced between RegMol and Inventory.
• In Inventory, when a project is created with a project code that does not exist in RegMol, the project will also be created in RegMol.
• In Inventory, when a Project Name is updated, the project name will also be updated in RegMol.
• In Inventory, updating the project code to a project code that already exists in RegMol will result in an informational error message.

• In RegMol, the following features are no longer visible OOB without Inventory integrations: Manager containers button, Containers table (for new Inventory or RegMol installations).
• The ability to push entities manually from RegMol to Inventory using the push to Inventory admin/Bulk-registration feature is significantly improved.
• A descriptive message has been added for an Inventory and RegMol sync error. For example, in the Batch Explorer view a message will be displayed if there is a sync error in the containers tab.

UIUX

• When right-clicking an entity type under My Pre-Registries, Pre-Register, Register, Bulk-Register, Parent Explorer, Batch Explorer and ADC Explorer the page will open in a new browser tab.
• Added informational messages when selecting and adding compounds to cart to make it more user friendly.

Entity Lists, Search and Explorer

• In Batch Explorer, added ability to search simultaneously for multiple entity IDs with the separators: “,” or “;”.
• In Parent Explorer, added a Created Date range filter.
• In Parent Explorer, added the ability to filter by Number of Batches and by Parent Name.
• In Advanced Search, added the option to search with Substructure/Stereo=CIP in the ‘search type’ dropdown.
• Added the ability to search for a Sequence using lower case input.
• Added ability to add custom columns to both Quick and Advanced searches via a configuration.
• Added the following search features:
  • Search for atom ring status (whether atom is part of a ring or not).
  • Search for aromatic or aliphatic bonds.
  • Search for substitution count (number of non-hydrogen substituents and isotopic hydrogen substituents).
  • Search for unsaturated atoms (atom has at least one double, triple, or aromatic bond).
• Added a new feature on the Search Entities results page that will suggest a quick link to the batch/parent being searched.

HELM

• Added function for filtering and sorting of columns on the Monomers management page.
• Enhanced the substructure search for HELM Monomers. Now the table of monomers will automatically refresh after clicking Done in substructure search (previously needed to refresh the page or click enter in the search box).                            
• Monomer Aliases in the Monomer Library can now display Chinese characters.

Registration

UIUX enhancements:

• The Gallery icon is added to the Structure Editor options, to access the gallery of graphics that can be added to the sketcher.
• An informational message will be displayed if, when registering a gene with two chains and a disulfide bond between the chains, the registration violates the rule where the same Cysteine participates in multiple disulfide bonds.
• The pop-up message when attempting to change to the existing status is now more informative. “The status must be changed to a new value".
• For Bulk-Registration: added display message, in the entityID column, for any row in which the project listed is not a project that exists in RegMol.             
• For Bulk-Registration: added descriptive messages when using 'Check Duplicates' feature on peptide registration to indicate a column needs to be mapped to Structure.             
• Added Expression System and Expression Vessel dictionary categories by default.
• Added full screen option to all OOB entity forms that use structure editors.
• Updated and aligned Vendor section across all forms:
  • Changed Vendor to Vendor Name.
  • Changed Vendor CN to Vendor Cat #.
  • Removed the field for Vendor Lot#
  • Changed Vendor Link to Website Link.

History log enhancements:

• The parent history now captures information about attachment editing.
• Added improvements to entity History including:
  • Changes made to the registration are now captured in the Molecule Sheet History section by default.
  • Updating batch structure updates parent history table when there is only one batch.
  • Updating description field of the parent, updates the history table.
  • Updates are captured using other methods of updating such as when using the following admin options:
    • data management -> update structure/sequence.
    • data management -> bulk update structures.
    • bulk -> nonstructural data -> parent.

Entity Form Updates

• In the Antibody form an informative message is given if entering sequences in the antibody builder that are not present in the database.             
• The ADC form is streamlined, and the ADC builder wording is updated.
• A new Plasmid form is added by default.
• A new LNP form add-on is available including:
  • A new LNP explorer page with LNP fields filtering and advanced searching.
  • Dropdown fields entries are added by default to the dictionary.
  • Tooltips are added to the form.
• A new Stability Study form for formulations add-on is available.

Chemistry updates:

• Improvements to chiral center recognition for uniqueness check.
• Added new rules to check for chiral flags and Enhanced Stereochemistry tags on bonds. If a structure is drawn with incorrect stereochemistry, a message will be displayed.  
• Enhancements in searching for Entities with advanced stereochemistry. The search type stereo=CIP (Cahn-Ingold-Prelog priority rules) search is now supported. For example, Searching for a structure with a wedge bond designated (S) vs (R).

Admin

Delete, Entities Page

• Optimized SQL queries for quicker loading of entities.

Data Management, Update Structure/Sequence page

• Optimized SQL queries for quicker loading of entities.
• Added full-screen option to structure editor in the update structure/sequence dialog.
• Added ability to modify antibody stoichiometry.

Bulk Upload, Relationships page

• Added save, delete rows, and insert rows buttons to the tool bar for bulk upload relationships.

Bulk Upload, Salts/Solvates page

• Added save, delete rows, and insert rows buttons to the tool bar for bulk upload salts/solvates.

Bulk upload, Non-structural Data page

• Added ability to bulk update data in a multi-select type field.

Assay, Data Readers page

• Added wildcard * search.

System Data, Structure Classes page

• Under the column data, Class Code, Class Name, and Class Type can now be filtered using the wildcard * option.

Salt Page

• Added a check to the SMILES column on the salt table so only valid SMILES strings can be added there.

User Management roles

• Added role restriction improvements for Assay View download:
  • Admin/super reader/chemistry can download structures as Excel/CSV/SDF (SMILES for CSV).
  • Biology role cannot download structures as Excel/CSV.
  • If a user has no assigned roles and is not an admin, an information message is displayed when trying to download a View.
• Implemented a new search restriction feature where users without the Chemistry role cannot perform a structure search.