Register a Virtual Compound

Registration system allows registration of compounds without lots. The registration is made without providing any lot related information. The functionality can be available on the:

  • Registration page

  • Upload page

Registering virtual compounds from the Registration page

The system can be configured to allow the registration of virtual compounds. Make sure your administrator has set the system accordingly (Administration/General Settings).

Turning on the "Virtual Compound" option will open a new registration form. Here version and parent level related information can be set, no lot specific information should be given.


Registration page

In order to register a virtual compound:

  1. Turn on the "Virtual Compound" function on the Registration page. The functionality can be set by your system administrator from the Administration/General Settings.

  2. Draw a structure and/or add any data that is needed for registration, e.g. CST, parent, version level additional data.

  3. Click on Register button.

The successful registration will be summarized in a Registration Summary window, which contains Ids for the parent (PCN) and version (CN) level. The created tree will contain only the parent and the version of the registered compound.



Registration Summary

Tree Browser

Note that if the virtual compound being registered is already present in the DB (with or without lot) no warning is received and the Registration Summary window will display the Ids.

Note that also multi-component compounds can be registered as virtual compounds.

Bulk upload virtual compounds

Uploading an SDF file that contains a property field that can be mapped with "Virtual Compound"

  1. On the Upload page browse for the SDF

  2. Map the appropriate fields, e.g. "virtual" --> "Virtual Compound". The value for the "Virtual Compound" field should be either true or false.

  3. Upload. As a result, if the "Virtual Compound" value was true, the compound was registered without
    lot (as a virtual compound), if the value was false, the compound was registered with lot.

Uploading an SDF file that does not contain a property field that can be mapped with "Virtual Compound"

  1. On the Upload page browse for the SDF

  2. Map the appropriate fields.

  3. If there are no property fields within the SDF that can be mapped with the "Virtual Compound", click on the "Append field" button located at the bottom of the field list. If you want to register all structures from the SDF as virtual compounds, set default value "true" for the appended field "Virtual Compound".

  4. Upload. As a result, all compounds will be registered without lot (as a virtual compounds).



Add new fields using the "Append field"

Add default value "true" to the "Virtual Compound" field