Browse page

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.

	structure	CST	salt/solvate	isotope	multiplicity
parent
version
lot

	restriction	change MW	update layout	rename LnbRef	register lot
parent
version
lot

	move lot	bulk move lot	editing add. data	stereo analyzer	checkers
parent
version
lot

(: modifications affect those levels but the changes cannot be initiated from there)

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

Independently of the selected level of the tree hierarchy, you can also change the source of the registered entity and by this you can have a different form to fill out.

{primary} Additional data values can be provided, changed or deleted on the Browse page and saved in an amendment process.

{info} Since version 23.12.0 the errors with and without configured fixers are differentiated in the section below the structure editor. The errors with configured fixers are greyed out and tooltips are visible now for all configured checkers.

{primary} Configured fixers might not work for certain structures, for more info please check in the checkers list. Therefore, it might happen, that a manual fix is needed even when a fix is configured. |

Error message about quality checker in _do_notfix mode	Error message about quality checker in fix mode

Depending on the structure type and from the tree level on the Browse page you can perform different amendments:

• parent level amendment
• version level amendment
• lot level amendment

Move lot and bulk move lot actions are also available. The allowed structure modifications including amendments and lot movements are summarized in the Table 2.

Type	From	To	Result	Available	Comment
Amendment	Single	Single		Parent, Version, Lot
Amendment	Single	Markush		Parent, Version, Lot
Amendment	Single	No structure		Parent, Version, Lot	For parent level available from 23.16 version
Amendment	Single	Multi-component compound		Parent, Version, Lot	For parent level available from 24.1 version
Amendment	No structure	No structure + CST		Parent, Version, Lot
Amendment	No structure	Single		Parent, Version, Lot
Amendment	No structure	Markush		Version, Lot	For parent level is not allowed
Amendment	No structure + CST	No structure		Parent	For parent level available from 24.1 version. It is not possible to remove CST from No Structure compounds for version and lot levels.
Amendment	No structure	Multi-component compounds		Version, Lot	For parent level is not allowed
Amendment	Markush	Markush		Parent, Version, Lot
Amendment	Markush	Single		Parent, Version, Lot	For parent level available from 24.1 version
Amendment	Markush	No structure		Parent, Version, Lot
Amendment	Markush	Multi-component compound		Parent, Version, Lot	For parent level available from 24.1.1 version
Amendment	Multi-component compound	Multi-component compound		Parent, Version, Lot	For parent level available from 23.16 version
Amendment	Multi-component compound	Single		Version, Lot	Amendment of multicomponent structures is not allowed for parents. New Ids will be assigned
Amendment	Multi-component compound	Markush		Version, Lot	Amendment of multicomponent structures is not allowed for parents. New Ids will be assigned
Amendment	Multi-component compound	No structure		Parent, Version, Lot
Move lot	Single	Single		Lot	Available only from lot level. A target version ID should be selected
Move lot	Single	No structure		Lot	Available only from lot level. A target version ID should be selected. Available from 23.16
Move lot	Single	Markush		Lot	Available only from lot level. A target version ID should be selected. Available from 23.16
Move lot	Single	Multi-component compound		Lot	Available only from lot level. A target version ID should be selected
Bulk move lot	Single	Single		Parent, Version, Lot	Available from all levels, multiple lots can be selected.A target parent ID should be selected. Works only for stereoisomers
Bulk move lot	Single	No structure		Parent, Version, Lot
Bulk move lot	Single	Markush		Parent, Version, Lot
Bulk move lot	Single	Multi-components compound		Parent, Version, Lot
Bulk move lot	No structure	No structure		Parent, Version, Lot	Available from all levels, multiple lots can be selected. A target parent ID should be selected. Works for stereoisomers and No structures
Bulk move lot	No structure	No structure + CST		Parent, Version, Lot	Available from all levels, multiple lots can be selected. A target parent ID should be selected. Works for stereoisomers and No structures
Bulk move lot	No structure + CST	No structure + CST		Parent, Version, Lot	Available from all levels, multiple lots can be selected. A target parent ID should be selected. Works for stereoisomers and No structures
Bulk move lot	No structure + CST	No structure		Parent, Version, Lot	Available from all levels, multiple lots can be selected. A target parent ID should be selected. Works for stereoisomers and No structures
Move lot	No structure	No structure		Lot	A target version ID should be selected. Available from 24.1 version
Move lot	No structure	No structure + CST		Lot	A target version ID should be selected. Available from 24.1 version
Move lot	No structure + CST	No structure + CST		Lot	A target version ID should be selected. Available from 24.1 version
Move lot	No structure + CST	No structure		Lot	A target version ID should be selected. Available from 24.1 version
Move lot	Markush	Markush		Lot	A target version ID should be selected. Available from 23.16 version
Move lot	Markush	Single		Lot	A target version ID should be selected
Move lot	Markush	No structure		Lot	Available from 24.1 version
Move lot	Markush	No structure + CST		Lot	Available from 24.1 version
Move lot	Markush	Multi-component compound		Lot
Move lot	Multi-component compound	Multi-component compound		Lot
Move lot	Multi-component compound	Single		Lot
Move lot	Multi-component compound	Markush		Lot
Move lot	Multi-component compound	No structure		Lot
Move lot	Multi-component compound	No structure + CST		Lot