Browse-card

    Depending on the mode (Edit or View) used on the Browse page different cards with different actions are available:

    View mode

    View mode

    Edit mode

    images/download/attachments/5314743/browse-edit.png
    Edit mode

    Actions

    Save

    When a compound is ready to be modified, by clicking on the [Save] button, the amendment process is initialized.

    The [Save] button is active for the execution of a modification in the chemical structure which can also include the modification/adding/removal of a CST, isotope, charge or salt/solvate information, or even to add or change additional data. With the aid of the [Save] button structure type changes, like modifying a single type compound to a multi-component compound or adding/eliminating components to/from multi-component compounds can also be finalized.

    More actions

    The action items from the [More actions] menu are specific to each level of the registered compound tree.

    #### Parent
    images/download/thumbnails/5314743/PL-more_actions.png
    #### Version
    images/download/thumbnails/5314743/VL-more_actions.png ###### Show History History is designed to keep track and summarize modifications of a tree element from its initial registration. ###### Register lot A new lot can be registered under the selected version. ###### Delete A version element along with it's lots can be deleted.A deleted version with the lots can be restored by using the Undelete action from the Administration page. ###### Change Restriction level A restriction level can be manually set here, or it can be inherited automatically during autoregistration or when accepting a restricted match on the Submission page. When setting a restriction on a version level, it is automatically inherited by the whole tree.In case of restricted trees, the user will always be warned when accessing the tree from the Browse page.Restricted trees are not visible for the users who doesn't have the role for this. ###### Change Molweight A user-supplied (specified) molecular weight can be set for the structure. Choosing the [Change Mol Weight] item, the Change Mol Weight window will open, where a new value can be set and saved as user specified MW for the selected structure. The operation is stored in the history as an Update structure.The user-supplied molecular MW of a version structure is also displayed for it's lots, but it is not set for the corresponding parent.Beside the specified MW, the calculated one is also displayed for the parent, version and lot.
    #### Lot
    images/download/thumbnails/5314743/LL-more_actions.png ###### Show History History is designed to keep track and summarize modifications of a tree element from its initial registration. ###### Delete A lot element can be deleted.A deleted lot can be restored by using the Undelete action from the Administration page. ###### Rename LnbRef LnbRefs can be changed here. ###### Move lot Lots can be easily moved within one tree or to a different tree. When choosing the Move lot option, a Move lot window will appear, where a version number (CN) should be given, then click on the search button. If a new version is accepted for the lot to be moved, click on the [Move lot] button.In a move lot action, the moved lot (LnbRef) will inherit the specified MW, the Stereochemistry and Geometric isomerism additional data of the new version (in case if there is one). The moved lot will keep it's original Project info and Comment (in case if there is one). ###### Change Restriction level A restriction level can be manually set here, or it can be inherited automatically during autoregistration or when accepting a restricted match on the Submission page. When setting a restriction on a version level, it is automatically inherited by the whole tree.In case of restricted trees, the user will always be warned when accessing the tree from the Browse page.Restricted trees are not visible for the users who doesn't have the role for this. ###### Change Molweight To set a user-supplied (specified) molecular weight click on the [Change Mol Weight] item and the Change Mol Weight window will open, where a new value can be set and saved as user specified MW. The operation is stored in the history as an Update structure.The user-supplied molecular MW of a lot is inherited by it's version, but it is not set for the corresponding parent.Beside the specified MW, the calculated one is also available for the parent, version and lot.

    Show history

    This feature can show the original structure ( which is in the state as it has arrived in the system) drawn or uploaded by the user. Changes made to the original structure can be observed in the structure history. Either adding a salt or a CST it will appear in the original structure history.

    Image of the registered structure Image of the originally drawn structure
    images/download/attachments/5314743/image_%2811%29.png images/download/attachments/5314743/image_%2813%29.pngDuring registration, standardization is also performed which usually involvesoperations such as: dearomatization, nitro group conversion, removal ofhydrogenes.

    Options

    Quality checks can be enabled to run or not during the amendment of compounds.

    images/download/thumbnails/5314743/PQC.png
    Quality check option