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

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.

{info} Since version 23.14.0 the errors with and without configured fixers are differentiated in the section below the structure editor. The errors with configured fixers are greyed out and tooltips are visible now for all configured checkers.

{note} Configured fixers might not work for certain structures, for more info please check in the checkers list. Therefore, it might happen, that a manual fix is needed even when a fix is configured.

Error message about source-based checker in do not fix mode	Error message about source-based checker in fix mode

Error message about quality checker in do not fix mode	Error message about quality checker in fix mode

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.