Amending compounds

Amendments can be performed on each level of the tree. Depending on the level where the amendment was initiated, we can distinguish three types of amendments:

After making the desired structural or additional data changes on a tree element and clicking on [Amend] button, the amendment process is started. Similarly to the autoregistration and manual registration processes, also in the amendment process, first the structure validation, checking-fixing and standardizing steps, then the match actions are performed.

Structural Changes

The following modifications are considered to be structural changes:

  • changes in the structure area - including the structure type and component level information

  • changes in the whole structure level CST field (see Structure Details), or in the component CST field in case of multi-component compounds

  • modifying the structure possibly by adding only an isotope or a charge (the isotope/charge change is feasible only on version and lot level)

  • changes in the salt/solvate list and multiplicities (including parent multiplicity, feasible only on version and lot level).

Additional data changes

Not all Additional data from Data fields can be modified on the Details page.

The content of the fields like Comment (configurable) can be modified, then clicking on [Amend] button, the amendment process is started.

Stereo Comments , in case when are enabled for the given source , are recalculated on the Details page during each amendment process.