Recore: A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations

By Patrick C. Maaß, T. Schulz-Gasch, M. Stahl, Matthias Rarey. 2007

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A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets (2015, methodology): “The ReCore module modifies hit compounds by replacing their “core” (chemical scaffold) (57).”
ZINCPharmer: pharmacophore search of the ZINC database (2012, methodology): “Newer methods, such as Pharmer (15) and Recore (16) use indexing approaches so that search times scale with the complexity and breadth of the query, not the size of the library.”
The use of a graph database is a complementary approach to a classical similarity search for identifying commercially available fragment merges (2022, background): “Recore, for example, replaces fragments in a molecule according to their pharmacophore and arrangement of exit vectors [28], while CReM is a tool that can mutate, grow or link compounds by selecting fragments to be added that share the correct chemical context [29].”
Enabling future drug discovery by de novo design (2011, methodology): “Depending on the focus of the software, the seed fragment can be anything from molecular scaffold (e.g., BOMB, 126 COLIBREE 68 ) to a set of side chains (e.g., Recore 127 ).”