Department of Chemistry

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Automated Grouping of Molecules

Molecules with certain properties can be put in a new group automatically by iSMS.
Go to the 'Grouping' menu and select one of the 'Create groups for all...' menu item, depending on which property to group.
The molecules with the specific property are put in a new group named according to the property of interest.
Revised 29.06.2026
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Fie Noer Christensen