Page tree

On the Browse page previously registered compounds can 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: 

  • View
  • Edit

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
  • moving lots
  • 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 amendment in 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.

structureCSTsalt/solvateisotopemultiplicityrestrictionchange MWupdate layoutrename LnbRefmove lotediting add. datastereo analyzercheckersregister lot
parent(tick)(tick)(error)(error)(error) (tick)(tick)(tick)(error)(error)(tick)(tick)(tick)(tick)
version(tick)(tick)(tick)(tick)(tick)(tick)(tick)(blue star)(error)(error)(tick)(tick)(tick)(tick)
lot(tick)(tick)(tick)(tick)(tick)(tick)(tick)(blue star)(tick)(tick)(tick)(tick)(tick)(error)

(blue star: modifications affect those levels but cannot be initiated from there)

Table 1. Available modifications in the Browse page

The Browse page can be opened by clicking the [View Details] from the Registration or Submission page or after entering a compound Id in the Quick Search.

This page visualizes the entire tree for 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