R-group decomposition

https://doi.org/10.1351/goldbook.11506
The process whereby the molecules in a dataset are partitioned into the core ("scaffold"), usually user-specified, and the specific substituents ("R-groups") found at each specific position.
Source:
PAC, 2016, 88, 239. (Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)) on page 255 [Terms] [Paper]
Citation: 'R-group decomposition' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.11506 RIS BibTex EndNote
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