Administration
- Improved the Salt Bulk Upload to enable registering salts without SMILES.
- Added select box option to project member import table to allow copying and pasting of information in the table via cell dragging.
- Added ability to update genes registered with ‘No sequence’.
- Enabled saving new sub-projects to new categories.
- Enabled importing multiple project members to a project at one time by using a “,” or a “;” to separate member names
- Improved the Super Reader role, providing users with that role read access to Assay data associated with individual batches, as well as Assay Views.
Assay Protocol
- Per-Entity Assay Profile: Cycles through all assay data, one batch at a time, over a user-supplied list of batches.
- Made improvements to the support of experimental curves in Assay View tables.
- Added the ability to allow equal signs in Protocol names
- Improved Assay View by enabling number ranges and operators to work in numeric column header filters.
- Improved handling of numerical values in scientific notation format.
- Made assay data uploaded via a Data Reader and an Excel file session available for bulk-deletion via the existing admin functionality.
- Assay data associated with a batch that is deleted by the user is now moved to the deleted assay results tables for possible future retrieval.
- Introduced an improvement to the clarity and size of JSDraw curves when they are downloaded from Assay Results.
Assay View (Legacy)
- Introduced improvements to project- and user-specific access restrictions within Assay View.
- Made an improvement so that the continuous scrolling features work when in full-screen mode.
- Made an improvement to how records can be filtered by the column header box and the filter dialog feature.
- Applied an improvement in the proper handling of assay value numbers formatted in scientific notation.
- Introduced a configuration to allow improved splitting of multiple values in aggregated assay data records in the Assay View and Project Portal.
Biologics
- Improved the handling of Gene and RNA entity types so that sequence-based uniqueness is maintained when creating new batches from an existing one.
- Enhancements to the Cloning Vector registration form have been made to focus on commercial vectors. One can use the plasmid viewer to select the restriction enzyme cloning sites and that information becomes part of the entity record.
- Applied improvements for end-users who register Biological Reagents, to make it clear that the Vendor Catalog # is a required field and will be used as the Entity ID at registration.
- Added a check to help users enter FASTA-formatted sequence records (such as for multi-chain antibodies) use the appropriate dialog box.
- Enhanced the allowed symbol stringency for registration of protein and antibody sequences using single-letter amino acid codes. Now, the default (and legacy) editor allows sequence entry using the standard 20-letter code plus U for Selenocysteine and O for Pyrrolysine. Customers can on request work with Scilligence Support to customize the stringency: either to limit to the standard 20-letter code only, or to allow all 26 letters of the alphabet, plus dash and asterisk.
- Added allowing the user to select records from the Parent Explorer for Sequence-based entities and download those records as a SDF-formatted file. All non-structural and non-sequence metadata will be exported in SDF format.
Bulk-Registration
- For the Cell-line entity type, added duplicate check on cell line name field in bulk registration.
- Enabled the capability to use cell line name for uniqueness check using a configuration key.
Chemistry
- Scilligence JSDraw now supports coordination bonds.
- Improved automatic generation of calculated properties upon parent registration.
- A significant improvement was applied in the rendering and Molfile export of chemical structures drawn using brackets to denote polymer repeats.
Conjugation
- Improved payload/linker payload preview in JSDraw.
- Introduced several general improvements in the conjugate builder UI.
- Improved the ADC form Components Table to reflect new payload/linker information when updating the components.
- Added functionality so that all columns are now searchable in the ADC explorer.
- Added the ability to filter and sort all relevant columns in the ADC Explorer.
- Example Conjugate Methods are added on the Admin, Conjugation Methods page.
Cross-application integration
- Inventory molar concentration is automatically updated when the batch MW is changed.
- Inventory mass concentration is automatically updated when the batch MW is changed.
- Added the ability to prevent the user from submitting string values in float type fields when pushing from ELN. An error message prompt will be triggered.
Flexviewer (New in Version 7.4.0)
- Scilligence introduces Flexviewer, a new framework for presentation and analysis of assay data. Like RegMol’s legacy Assay View functionality, users can construct tables composed of batches and assay protocol columns and have flexibility in how the sets are chosen and displayed. Flexviewer affords the user more freedom to sort, pivot, aggregate, color-code and format their tabulated datasets.
- Whereas the legacy Assay View functionality allowed users to create static tables, with Flexviewer users can create dynamic views that are based on (for example) date range queries that are executed whenever the saved Flexviewer view is loaded.
- Please work with your dedicated Support representative to implement Flexviewer in your RegMol instance, as it requires configuration as well as a nominal pass-through license cost.
Formulation
- Fixed the issue in formulation batch advanced search window width.
- Fixed the display of API name in the impurity window under assays by adjusting the width to accommodate large text.
- Added a save button in the formulation type create/edit window.
- Removed the Assign Containers button from formulation batches page.
HELM
- Simplified the file format options for importing and exporting HELM libraries in JSON format.
- Introduced a Monomer Duplicate Check feature that provides a means to preview one’s records of proposed new monomers by comparing structures to existing ones and flagging duplicates.
- Added a new dialog for Bulk Import of HELM monomers, consisting of a pop-up window containing a table of all the data columns like other RegMol bulk-import dialogs. The table can be downloaded to Excel to provide the user with an upload template. The legacy (file upload) import functionality is moved to a different icon button: “Silently Import Monomers”
- Made improvements to the cleanup of the display of multi-branch HELM peptides, so that the branches do not overlap.
- Improved rendering of HELM-based peptides and their terminal amino and/or acetyl groups.
- Harmonized the cleanup of HELM peptides when converting to Molfile. Formerly, having a HELM structure in the JSDraw sketcher and right clicking -> copy as molfile led to different rendering than converting the HELM structure via the Mol2HELM page by clicking HELM2Mol.
- Enabled the Monomer Explorer (Palette) text filter to filter for monomer symbols that contain the + character.
Registration
- Introduced the ability for users to define parent relationships during virtual parent registration.
- Entity parent audit trail (History) enabled for both virtual parent and non-virtual parent.
- Introduced the ability to recognize and register custom EntityIDs with spaces in the ID.
Search
- Added the ability to search using sub string or wildcard in the project portal.
- Added the ability to filter using multiple conditions in Batch Explorer.
Stereochemistry
- Choose Parent is offered when editing structures and adding or1 to previously registered chiral centers with assumed Absolute stereochemistry.
- Improved pseudo-chiral centers uniqueness checks.
- Improved AND-enantiomer stereocenter uniqueness checks.
- Made enhancements in flagging chiral center of amino acids.
UI/UX
- Improved support for hyperlinks involving batch alias names when those names contain punctuation symbols like the plus sign.
- Made improvements in the designation of favorite (starred) records in tables and the ability to star-all and unstar-all visible rows.
- Improved the batch audit trail by saving history of changes to both batch-level and parent-level relationships. Allows configuration to enable admins to edit relationships vs. the default where admins cannot.
- Provided an improvement to the history (audit trail) for batches to indicate the addition or the removal of attachments to a batch entity sheet.
- Removed the ‘View Old Batch Explorer’ option in the Batch Explorer and LNP Batch Explorer pages.
- Made improvements in the sorting by date for Project entities and Project attachments tables.