Submission Details

The Submission Details are the LnbRef, Lot ID, Source, Specified Molweight and Submitter.

Action bar

The action bar is located in the top center part of the Registration page.

• Register

When a submission is ready to be registrered, by clicking on the [Register] button, the autoregistration process is initialized. Before registering a structure or data (CST), the compound is first validated, checked, fixed and standardized. These procedures are the same as described in the Autoregistration chapter . Finally, the match search is performed.

• Register with CN

It is possible to register a new lot under a given version (CN) without supplying the structure and/or CST and optionally salts/solvates. In order to do this, only external IDs (LnbRef, lot ID, if needed) and source fields have to be supplied, then click the [Register with CN] button and in the appearing Registering structure window enter the desired compound number (CN). Next to the mandatory fields, additional data (e.g. Purity, QC, Project etc.) can also be supplied, which will be saved as lot level additional data. The Project name, supplied for the lot, will be inherited by the version and the parent too. Stereochemistry and Geometric isomerism data are not stored.

Structure area

In order to draw a structure, just simply click on the str ucture area and th e structure editor will load ( figure Autoreg 1 ) . The default structur e editor is Marvin for JavaScript. For draw in g structures, optionally you can also use Marvin applet or ChemDraw. To see how the structure editor can be chan ged please con sult the user Profile page.

After loading or drawing a structure the user has the possibility to "quit" the editing of a structure: just simply click the [Apply] button located at the upper left side of the editor. By closing the structure editing mode, the structure fused image with charges, isotopes and salts/solvates is visible and other functionalities will be available (see Structure area):

• Structure type can be changed

• Salt/solvates can be added

• Chemically Significant Text (CST) can be added
  
  

  Structure type can be: Single, Mixture, Formulation or Alternate. Here instead of a single structure, multi-component compounds can be set in order to be registered.

  Salt/solvates can be added from a Salt/solvate list, where previously salts and/or solvates were uploaded or added.
  
  CST, if exists, can be attached to the chemical structure (considered part of the structure), and takes part in defining the structure uniqueness. CSTs, previously added to a dictionary (see Administration page, Dictionary manager tab), can be retrieved during autoregistration (and also during manual registration and amendment) from a drop-down list .

There are 5 modes in the structure area: Edit Mode, Image View, List View, Grid View and Fullscreen.