Homology Group Searching in BIOVIA Direct and Pipeline Pilot

Homology groups can extend substructure searches in the BIOVIA DIRECT Oracle cartridge or in Pipeline Pilot.

Homology groups are defined as abbreviation (SUP) groups in the query MOL file. They represent structural features, such as alkyl or heterocyclic groups. When used as a query, the homology group will match the group of atoms and bonds which it represents. For example an Alkenyl will match a singly
connected group of carbons with no rings and with only single and double bonds between atoms in the group. The groups are organized in a hierarchy, with the first division being between Cyclic and Acyclic groups.

BIOVIA Draw 2023 supports the drawing of homology groups in terminal positions. With earlier Draw versions homology groups can only be drawn as abbreviations on top of a star atom.

The above query molecule is used in the Pipeline Pilot example protocol "05 Searching with Homology Queries" and generates the following hits: