R-group Decomposition

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       R-group decomposition is a special kind of substructure search that aims at finding a central structure (scaffold) and identify its ligands at certain attachment positions. The query molecule consists of the scaffold and ligand attachment points represented by R-groups. These R-groups are simple R-group atoms without R-group definitions in most cases.

We call an R-group query defined, when the list of chemical functional groups for R-group nodes is defined, otherwise it is undefined. Please find more detailed information about R-group decomposition search here.


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