User features

• • On the Batch check page the last Report format(s) used by the user are saved for the user.

  • From 17.22.0 Compliance Checker integration controller returns the original input molecule in case of hit and error. The data is in the "originalInput" filed, next to input molecule (which is in "input" filed).

  • If session expires CC redirects users to login page.

Admin features

• • .

User features

• • When batch check fails with 'Error during structure import' then clicking on the row shows a popup displaying the first error and it's cause.

Admin features

• • Administrator can kill any user's running batch check or any running report generation from 'Batch check history'.

User features

• • Report generation can be canceled on the Batch check dropdown with the 'Kill report generation' button.

  • Auto-generated filename of the batch check report will have the 'OriginalFilename_jobID.ext' format. (Documentation)

Admin features

• • New installers for different platforms make easy the installation process. (Documentation)

  • Some default Hystrix settings were changed in application.properties (Documentation)

    hystrix.threadpool.default.queueSizeRejectionThreshold=90

  • 'Input data fields' can be selected in the report template editor. If selected then all Input data fields will be included - as separate columns - in HTML, XLSX and PDF reports.
    (In sdf and mrv reports these are included by default.)

  • A new field (molFormat) can be set to request JSON on the /integration/check/list endpoint.
    This accepts only a specified format, and gives an error (file format exception) if the input cannot be recognized in that format.

  • ComplianceChecker services ( http://.../cc-backend/manage/health ) respond {"status":"DOWN"} until training is finished and {"status":"UP"} when finished.

Bugfixes

• • Batch check of a CSV file without a header row will check the structure in the first row. (Documentation)

User features

• • New versioning policy: year, sequential numbering, patch

  • Batch check of CSV files is now supported. Files must have "csv" extension and first line is considered as header.

  • Excel reports can contain structure images (according to the report template)

  • New Help link to the Documentation

  • Login URL was changed from ".../cc-web/login" to ".../cc-web/#/login".
    If the user is logged in and e.g. clicks an old bookmark, then will get the "Requested page not found" error.
    On this ".../cc-web/#/page-not-found" page clicking on the "Paragraph" icon navigates the user to the "Single check" page.

Admin features

• • New installer for Linux.

  • Admin can create Report templates that contain input structure images and/or example structure images.

Bugfixes

• • Failed batch checks were shown as "pending" on the Batch check history page

  • 'Kill this job' did not work

  • Homology group extension did not work on the prefilter queries

User features

• • Endpoint in the API to return the earliest date of regulations that can be applied.

Admin features

• • Single check history is now available where the admin can search and filter all Single check data by the User name and/or the Check date/time. Documentation

  • Batch check history, Single check history and Database update history were converted to tabs of a single History page. Documentation

  • The Batch check history popup (i.e. details) was improved: the selected legislation names are listed below the downloadable reports. This table is sorted on the Legislation name field. Documentation

  • A combined Compliance Checker license now includes all necessary licenses which are needed.

  • Batch.cleanup.scheduler was implemented for the possibility to periodically delete the Batch check history, the generated reports and the uploaded files from the server. It can be configured in the application.properties file. Documentation

User features

• • User can select a Report template on the Report content dropdown for a new Batch check,
    and for generating a new report on an earlier Batch check.

Admin features

• • System monitor page shows all information on the System status (Mongo DB, System user, Eureka services, Config service, Settings) and the Available services.
    Documentation

  • Report template editor will be implemented. Admins can create and customize Report templates. Documentation

Bug fixes

• • Batch check reports listed the records with different Input# for the same Input molecule.

User features

• • A popup shows the progress of the file upload at Batch check.

Admin features

• • Search in Batch check history has been implemented. Documentation

Bug fixes

• • Reports created from SDF files containing a property having dot (.) in the property name could not be downloaded from the server.

User features

• • Compliance data can be searched for a specific date and the check will be run against legislations published before that date. Documentation

  • Single check report page has been improved (Documentation):
    What is controlled field has been introduced, showing the relevant part of the legislation, the hit-highlighted input structure and the matched query structures.
    Field titles have been renamed.

  • Default report format was changed to HTML and its default content has been changed to Controlled structures and Errors. Documentation

Admin features

• • Check level editor has been improved. Documentation

  • Search in Database update history has been implemented. Documentation

  • Automatic DB updater tool has been developed (Documentation):
    After setting up an update server, users and admins get a warning message when a new DB version is available.
    Admins can update automatically by clicking on Download and update to latest version button.

Backend

• • Software and Knowledge Base version number changes have been applied according to Chemaxon's weekly release format. (YY.MM.DD.#)

  • Batch check has been improved: sequential search order has been changed to parallel, so now smaller files are processed faster.

  • Error handling has been improved for rest controllers.

  • Connection to Mongo DB was improved for SSL Transport layer security.

Integration API

• • Compliance Checker API (Documentation)
    To check molecules listed in a file against regulations, Compliance Checker offers a File-api.

User features

• • Single Check

    • Enter structure using Text input field (names, CAS#, SMILES, InChI, or any text based structure file format, like MOL, MRV)

    • Automatic rendering of structure based on the Text input field

    • Draw a structure using Marvin JS

    • Select from predefined countries to check against (the default countries include the corresponding international regulations as well)

    • Select from level(s) to check against (defined by the administrator)

    • Selecting fields displayed in the report (dynamic on/off in the display)

    • Generate report (PDF, HTML, XLSX, SDF, MRV)

• • Batch check

• • • Upload files (any structure file format that Marvin can understand, like SDF, MRV, SMILES, names, CAS#s, InChI, etc.)

    • Select countries to check against

    • Select predefined level(s) to check against

    • Result summary

    • Generate reports (PDF, HTML, XLSX, SDF, MRV)

    • History

Admin features

• • Manual update, without the need of restarting the service (the old DB service runs for any call before the new DB becomes available after upload)

  • Service monitor

  • Check Level editor (to define new levels by adding categories, countries or other levels, or cloning countries or levels)

Authentication/authorization features:

• • Multiple AD domains support

  • Group mapping (external to internal)

Integration API

• • GET and POST single structures and list of structures, optionally specifying countries/levels to check against.

  • Batch check and reporting API (currently not public)