On the Browse page previously registered compoundscan be viewed with all their details, data and additional data. Different types of structural and non-structural modifications can be performed in order to be saved or just to analyze the structure.
The Browse page has two looks:
Depending on the level (parent, version or lot) the registration system enables different types of modifications:
structural changes, which can also involve charges, isotopes, salts/solvates, CSTs or specific structure checkers, analyzers can be run on the structure
renaming the external ID (e.g. LnbRef)
setting a restriction level
deleting elements of the tree(or the whole tree).
All the performed changes are stored for each type of amendmentin an audit (or history) entry.
In many cases it is allowed to change more than one characteristic in one amendment process.
Table 1 summarizes the main types of amendments for a structure.
|structure||CST||salt/solvate||isotope||multiplicity||restriction||change MW||update layout||rename LnbRef||move lot||editing add. data||stereo analyzer||checkers||register lot|
(blue star: modifications affect those levels but cannot be initiated from there)
Table 1. Available modifications in the Browse page
This page visualizes the entire treefor a given compound: parent, version and lot levels. The tree can be configured in a way to display the parent and lot levels only (version level being ignored). At the top of the structure hierarchy the parent standardized form of a compound is displayed. On the next level all versions of the above parent containing isotopes, charges and salt/solvates are shown. The lot (or preparation) level represents the unit of material obtained in one definite chemical process, defined by unique external IDs is at the bottom level of the hierarchy. The tree-like visualization of the Browse page is a direct representation of the storage hierarchy.
In the example below ( figure Amend 1) a tree is presented on the Browse page for a single compound.
|Figure Amend 1. A lot level fused image representation for a single compound on the Browse page|