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 2 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.