Design Hub history of changes


    • fixed an issue with the activity stream where it reported incorrect title for new attached files
    • fixed an issue with ZIP file downloads for a multi-compound selection
    • improved the logic of OIDC token refreshing to make sure network failures are better tolerated


    • added support for DH_ prefixed environment variables for configuration, and deprecated the ML_ prefixed ones
    • improved plugin configurations with a new project-object setting type
    • batch delete is now available in project data view
    • fixed an issue with too large database queries over 800+ view columns
    • added an option to configure SQL DB connection pool size
    • introduced the READ_COMMENTS, WRITE_COMMENTS, READ_DESCRIPTION, WRITE_DESCRIPTION, ACCESS_FILE_ATTACHMENT, ACCESS_COMPOUND_FIELDS_GROUP_* permissions that are given to our default user groups of TEAM_ADMIN, VIP, USER and CRO reasonably, but not for custom groups. These permissions can be used to control which users see the comment areas, file attachments, text descrption or custom data fields throughout the application and on content IDs they otherwise have access to.
    • improved the user listing table of the admin interface with pagination, filtering, and the groups columns now displays all groups/roles of a user
    • fixed an issue with reloading saved settings of realtime plugins
    • reorganized the full search page's options, by moving content type selection to the top, followed by project filtering and then all metadata options
    • extended the compoundButtons configuration option with new variables that can be added to a URL
    • improved the design set sharing functionality with filtering options that can quickly reveal potential issues
    • extended the REST API of compound selection with new filtering and querying options


    • fixed an issue with list and kanban filters refreshing after a project switch
    • fixed an issue with loading plugin configurations into the UI controls
    • added typeahead search capability to all dropdowns in the application with dynamic content, e.g. user lists
    • improved the logic of moving compounds between design sets
    • added a new option to store files related to projects


    • fixed an issue with the assignee dropdown where in some timing conditions it didn't load the potential list of all attendees
    • added the ability to select which reference compound to use for comparison in single compound mode and create mode
    • fixed an issue with the kanban board where it was not possible to update the "assignee" attribute of a record when the "Project members" axis was selected
    • introduced session persistence for filter configuration and selection of rows to most screens


    • an option has been added for the Project data sheet to export all or the selected records
    • filter options across the application have had their list of options reduced to focus on the user's current project view
    • the Project members option of the Kanban board had its list of possible values reduced to focus on the user's current project view
    • fixed an issue with showing the default properties of realtime plugins and restoring the saved values into the dialog


    • a new "Toggle hydrogens" options is available in the 3D viewer for all ligands
    • the Binding site and Surface components of the 3D viewer have been merged with updated size controls
    • the default assignee of compounds is no longer set to the compound author, but is left Unassigned
    • fixed an issue with the compound sharing dialog that displayed Access Denied errors whenever a registration issue was detected
    • compound records that are updated through import plugins now do not override the author of compounds (i.e. the original values are kept)


    • compounds can now be reorganized between private and public design sets
    • spreadsheet columns can now be resized in the early access spreadsheet feature
    • fixed an issue with the early access spreadsheet feature where # symbols were missing from the ID column
    • fixed an issue with storage plugins where certain organizational features of the UI didn't provide the necessary triggers
    • fixed a layout issue with long column names in the filter panels of Project Data
    • revised the calculation of completed compound statuses in statistics to consider Cancelled compounds as a finished state


    • improved the save compound dialog with navigation related options
    • improved the user interface of "compoundButtons" when multiple definitions are provided in the configuration file
    • fixed an issue with the layout of settings in plugin configuration windows
    • fixed an issue with the database query logic of project-focused tag lookup for compounds


    • introduced a new chemical search logic that improves the consistency of very generic chemical queries. Several configuration options are introduced to tweak the behaviour for the available hardware. See the configuration guide for details
    • batch editing has been added to spreadsheets
    • adjusted several dialogs to make sure long configuration options do not stretch the visualization
    • fixed an issue where duplicated data records' import progress wasn't properly indicated


    • a progress indicator has been introduced to help with long-running import processes
    • a new category option is added to realtime plugin settings to organize the list of options
    • fixed an issue with checkboxes that were rendered with incorrect (small) size


    • a new way to organize compounds has been added to design sets
    • improved the way the search page displays statuses available for filtering
    • reduced the memory usage of certain synchronization jobs
    • fixed an issue with compound modification process where IDs were hidden from the UI after the change took effect


    • added additional columns (e.g. tags and various IDs) to the spreadsheets of the application
    • added user specific persistence to choices on the import dialog
    • fixed an issue with company plugins that prevented the daily scheduled call of getProjects() method
    • fixed an issue that prevented sharing design sets with a certain status
    • fixed an issue with the dashboard not showing compound IDs
    • added a configuration option to openId authentication types that allows tweaking the timeout of downloading


    • import plugins can now add compounds created in other software as new private design compounds
    • project IDs are now added to the dashboard URLs
    • adjusted the My projects dropdown with typeahead search and quick way to clear the current selection
    • improved the project data and design set spreadsheets so that panel visibility is persisted for the user
    • fixed an issue with the push notifications of the backend during compound upload and property calculations that prevented the view from updating
    • adjusted the voting buttons on the project data and design set spreadsheets so that the clickable area is appropriate sized


    • adjusted the search logic of the compound and full search screens by removing the estimation logic and replacing it with a fully accurate search count as well
    • adjusted the health check of the application by including the output of JChem Microservices DB health and if Design Hub can reach it at the time of health check
    • updated the login screen of the application to make single sign-on flows smoother for all users
    • fixed an issue with storage plugins not triggering updates on events related to deleting a compound


    • removed the "Recently joined" cell from the dashboard
    • fixed an issue preventing manual status changes (to Synthesis Completed) from triggering notifications to the compound author
    • fixed an issue with the virtual compound cards in the Approval queue that caused it to display internal IDs of status/priority/assignee instead of corresponding labels


    • when OIDC tokens expire and cannot be refreshed anymore automatically, the application now logs out users to ensure a new valid token can be obtained
    • the Manage project membership screen is now hidden for users without the ACCESS_PROJECTS_META permission
    • Marvin JS upgraded to version 21.19.0, which requires Ctrl/Cmd+Scroll to zoom the canvas in embedded locations
    • the Design Hub Shared Compounds plugin has been extended with imported data visualization capabilities
    • adjusted the scrollability, sizing of filter panels on every screen of the application, and fixed an issue with prevented the compound kanban board's filter panel from being scrollable at certain layouts
    • the My Projects dropdown now allows multiselection


    • a new project data screen is now available for early access trials


    • checkCompound and getID method has been removed from company plugin, and added to a new registry plugin type, and extended with a getMatches implementation. see the new developer guide
    • a new approval page is available to view pending matches from the substance registry collected using registry plugin's getMatches method
    • realtime plugins can now be configured with new settings types: objectenum and multiobjectenum


    • storage plugin API has been extended with additional parameters. see the developer guide for details
    • added file based logging option next to console and gelf. see the configuration guide for details
    • fixed an issue with data import line matching heuristics


    • openId authenticated domains can now keep access tokens refreshed and provide user access tokens to plugin calls for authorization of requests
    • fixed an issue with the search pages where services configured for MarvinJS were not loaded
    • fixed an issue with the View registrations page where it failed to load under some circumstances
    • extended the manual data importing screen to allow importing status, priority, assignee and vlaues to any custom compound fields
    • optimized several screens to dramatically reduce number of HTTP requests, which in high latency situations improve page loading experience
    • fixed an issue in Synergy environments where email addresses showed for users instead of real names


    • fixed an issue with the REST API endpoint /api/public/compounds where chemical structure sources were missing
    • fixed an issue with optional features flickering in the application toolbar
    • revamped the organization and visualization of search options across all screens


    • fixed an issue with missing application icon in browser tab bar
    • fixed an issue with restricted access users not seeing content assigned to them under certain project-specific rules
    • extended the storage plugin APIs to include custom compound fields
    • fixed an issue with filtering data on custom compound fields


    • separated all kanban boards into a main navigation element
    • added number of days since a compound has been at the current status to the compound kanban board
    • changed all kanban boards to display the assignee in the corner, instead of the author
    • changed all kanban boards to display “None” columns by default – so records with missing details are not hidden initially
    • changed the visualization of user names throughout the application, so that authors are in a rectangle shape with full name, while assignees are in a circlular avatar with initials
    • compound list view has now a sorting dropdown in the corner which allows putting e.g. most voted compounds at the top
    • fixed an issue with compound kanban boards which prevent cards from being fully draggable – dragging only worked by title, now the entire surface is draggable
    • fixed an issue with single step reaction analysis that prevented the component panel from appearing below the compound editor


    • storage plugins APIs have been upgraded and additional compound details can be exported with them. see the developer guide for details
    • realtime plugins have been upgraded and now all method calls provide full user context. see the developer guide for details
    • fixed an issue with saving compounds to a public design set when permission checks are enabled
    • added flavor text to an empty search results page to help navigate the application
    • fixed an issue where scrollbars were not visible in compound creation screen even though content overflowed the screen
    • greatly increased the timeout of virtual registrations and added additional helpful text to diagnose and handle performance related issues


    • compounds in a design set can now be sorted based on author, assignee, priority, status and create date
    • compounds in the system can now be sorted based on the total number of votes
    • fixed an issue with protein surfaces not rendering on page load
    • adjusted the visibility of form input labels in compound saving dialogs and plugin configuration dialogs to increase ease of use


    • replaced starred item counting (introduced in 20.6.x) with an up/down voting capability
    • added a notification panel showing recently synthesized compounds
    • the tags of items now receive their autocomplete suggestions from within the project only
    • fixed an issue where chemical structures on hypothesis were not searchable
    • added a paging option to the /api/compounds/public endpoint (see API docs)


    • added a SQL backend option for the attachment filestore of the application (see filestoreImplementation in the configuration guide)
    • made the startup of the application more robust by waiting and retrying the SQL connection until it succeeds or times out
    • added the ability to configure username and displayName attributes pulled from OpenIDConnect authentication source
    • added Kerberos token support to LDAP authentication type
    • added Project as a realtime plugin setting type


    • backend of the application has been upgraded to NodeJS 14 LTS
    • REST API access now requires the ACCESS_REST_API permission (see configuration guide)
    • virtual registry plugin is now available to search the internal database of Design Hub while designing new compounds
    • conditional formatting of realtime plugin results is now available (see developer guide)
    • Marvin JS upgraded to v21.3.0


    • single compound view now has a description field with rich text support, and the kanban board has been extended so that mouse over tooltips of compounds display these compound descriptions
    • fixed an issue with tag creation which prevented showing case insensitive matches from being displayed
    • added OpenIDConnect support to the authentication options to work with Keycloak or Auth0
    • fixed an issue with accessing the SAML service metadata descriptor endpoint, as a result of it, the URL of it changed. for details please see the configuration guide


    • resolver plugins can now by used on the hypothesis sketcher
    • quick search in the toolbar now finds compounds by virtual IDs after synthesis completed (and real corporate IDs have be assigned)
    • fixed an issue with the hypothesis sketcher were drawing arrows was not possible from right to left
    • fixed an issue with the single compound view where the list of compounds could be infinitely scrolled
    • changed the logic associated with tag filtering such that space characters within your tag (during a search) do not result in 2 partial query conditions
    • fixed an issue with uploading plain text files that cannot be categorized by the browsers into any mime type
    • adjusted the look and feel of filtering and sorting options in design set overviews for easier access


    • fixed an issue with plugins implementing the realtime plugin REST API not being available in overview mode
    • fixed an issue with realtime plugin settings where the dialog didn't show saved settings when reopening the dialog
    • added a new screen to the administrative UI that shows an entire audit history of the virtual registry


    • increased the default expiry of uploaded structure files from 5 minutes to 2 hours
    • added the ability to upload multiple file attachments using the same desktop file selection dialog
    • added the ability to edit and delete comments for 10 minutes, or until a response is made by others


    • fixed an issue with editing and deleting banner messages on the admin UI
    • improved the layout of kanban boards to display a white dropzone while dragging an item


    • added a new role based access control system to the application that allows assigning users to groups, and limiting what actions are permitted for these groups. For details please see the configuration guide
    • adjusted the absolute time displayed in tooltips to always include calendar year
    • improved the layout of kanban boards to keep row and column headers in the view while scrolling
    • fixed an issue where the value of a text filter is not displayed in the text field after reloading a search page
    • fixed an issue where PowerPoint documents generated by the application, opened in JChem for Office displayed a warning while editing
    • changed the rendering method of plugin documentations from plain text to HTML. For details please see the respective developer guides
    • changed the URL scheme used by the structure upload API. For details please see the REST API documentation


    • replying to comments is now available
    • fixed an issue where small bar charts in the card layout overlapped text when only a few data fields were selected for visualization


    • with the retirement of JChem Web Services Classic, Design Hub now requires JChem Microservices DB, IO, Structure Manipulation and Markush Enumeration modules, so new configuration options have been created to configure the location of these modules. For details please see the configuration guide


    • adjusted the layout of hypotheses editing on small screens
    • hypothesis pages can now be reordered by drag & dropping them
    • AWS S3 based filestore is now available using the filestoreImplementation option. For details please see the configuration guide
    • improved the performance of file attachments across the application by generating and loading thumbnails of images where possible
    • the admin area now supports changing JChem Microservices DB molecule type and forcing the resyncronization of PostgreSQL content to JMS DB if needed
    • users can now register API keys to access the applications's public API. For details please see the API documentation
    • Design Hub has been upgraded to NodeJS v12 which delivered higher performance and easier memory configuration. For details please see the NodeJS release news
    • fixed an issue where an admin flash message / banner has overlapped content in the application
    • fixed an issue where a freshly created compound tag was not visible in the list of autocomplete suggestions on subsequent tag creation
    • fixed an issue where the compound list didn't properly display the priority of each compound
    • MarvinJS updated to 20.8.0


    • plugins now display short error messages straight from the problem source if the results cannot be fetched to prevent displaying inconsistent results or empty screens when an error occurred
    • compounds can now be starred (watched) in all views to easily gather updates made on them
    • improved the error messages displayd during design set sharing
    • adjusted the layout of large kanban boards so that column headers stick to the top of the screen
    • search results can now be paged based on the number of estimated hits
    • fixed an issue where an unordered SQL query mixed up the result of design set sharing
    • dropped the /databases volume declaration of the docker image of Design Hub


    • an administrative panel is now available where configuration of content statuses, Marvin JS toolbar details, JChem Microservices addresses and user flash messages / banner messages can be configured
    • from this version anonymous daily aggregate statistics are now collected in a PostgreSQL database schema called usage. Migration from the previous JSON file store is handled automatically by the database-migrator module
    • fixed an issue where deleted compounds were counted in the statistics of a design set
    • adjusted the layout so that virtual / real compound IDs no longer overlap with portions of the compound 2D image
    • MarvinJS updated to v20.4.0


    • a dashboard is now available as the starting page of the application with latest designs, latest comments and updates from projects you track
    • it is now possible to load plugins from remote sources where the plugins implement a simple REST API matching the concepts of previous NodeJS plugins. For details, please see the respective developer guides


    • from this version PostgreSQL database schemas are used to store data corresponding to a domain configured in Design Hub. The migration from the public schema is automatically handled by the database-migrator module, but if the pre-programmed conditions are not met, instructions will be printed in the console
    • fixed an issue where periodic check in the external registry only processed the first compound of a batch
    • active session data is now stored in a PostgreSQL database schema called session


    • search page now displays an estimated number of records matching the configured criteria


    • clicking on a compound in a design set's overview now loads the single compound view, instead of the editor
    • added large floating tooltips to kanban boards with additional details of a hypothesis and design set
    • improved the labels on the docker images to help manage them


    • added a single compound view with attachments, tagging, a discussion board and a way to view all calculated data


    • fixed an issue where hypothesis / design set tags couldn't be removed using the kanban boards
    • fixed an issue where hypothesis lists displayed cached images instead of up-to-date versions
    • fixed an issue where old versions of MarvinJS were loaded in the browser after an update


    • initial release