Advanced Registration

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

    Registrations can be started from the

    Registration page

    Registering Single structures

    During Single structure registration a Suggestion list (the same list as when the Find option is used, but instead of Continue with selected the Register as selected is available) appears.

    Suggestion list in advanced registration mode

    {info} Submissions can be assigned to other users, e.g. registrars.

    {info} If the E-mail notification is ON, the users will get notifications via E-mail upon assignment of submissions.

    Copy structure

    It is possible to copy to clipboard the 'Your submitted compound' or the 'Found similar compounds' also. For this purpose please find the Copy structure icon in the top right corner. After clicking on this icon the structure is copied to the clipboard in molfile V3000 format and it can be pasted somewhere else.

    The Copy structure icon

    Registering No structures

    During No structure registration, a Suggestion list appears, but no matches are displayed.

    No structure registration

    Registering Multi-component compounds

    For multi-component compounds, the Suggestion list is not available, but component matches are displayed first, then a compound level comparison of the multi-component compounds are displayed within a match list.

    Registering Markush structures

    When using the Advanced Registration mode there is no error in case of registering a Markush structure, it can be registered automatically.

    More info can be found here.

    {info} No Markush structure type is available yet within Compound Registration. For registering Markush structures "Single structure" type should be selected (default), the system will automatically recognize the structure.

    Registering Virtual compounds

    Virtual compounds can be registered also from the Advanced Registration mode.

    Submission page

    The Staging area is dedicated to collect submissions, that do not pass at least one of the configurable validation steps for autoregistration or for the upload process. 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.