Advanced Registration

    Advanced registration is the process of calling the registration service to register a compound involving besides the globally predefined and configurable set of business rules (validation, standardization, structure checking), the source-based Structure checkers, Stereo Analyzer, Registration options and the match (for multicomponent compounds) or the suggestion (for single/no structures) list.

    Compound Registration's structure matching logic is based on Chemaxon's JChem Stereochemistry. During structure registrations the JChem Global Stereo model is used.

    Advanced Registration page: Structure checker

    When the structure area is opened on the Registration page Advanced mode, the real-time structure checking and stereo analyzing will be turned on. Default source-based checker setting can be modified manually and depending on the checker, associated fixer options can be available.

    Structure checker Stereo Analyzer
    images/download/attachments/1803805/just_thechecker.png images/download/attachments/1803805/stereo_analyzer3.png

    Using the Stereo Analyzer option, stereocenters and stereo double bonds can be recognized. User can even automatically change structures by applying fixers to the molecule.

    {info} Before version 22.11.0: Configured source-based checkers and fixers are not applied by default during the advanced registration, but need to be enabled manually.

    {info} Since version 22.11.0: Configured source-based checkers are applied by default in advanced mode registration, bulk upload, and submission pages. Please find more information below.

    Source-based checker configuration
    Source-based checkers in advanced mode registration

    All source-based checkers are enabled by default in advanced mode registration:

    • If fixMode is set to "fix", the fixer provided in configuration is selected as default.
    • If no fixerClassName is given, the "Do not fix" is selected as default.
    • If set fixMode is valid and different from "fix", e.g. "do_not_fix" or "ask", "Do not fix" is selected as default.

    More details are available on the Registering from the Registration page.

    Advanced type registrations can be started also from the Submission page.

    Submissions from the Staging area can be opened on the Submission correction page, from where, after getting registrar's attention, can be again sent for registration.

    More details are available on the Registering from the Submission page.