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 (https://doi.org/10.1515/pac-2012-1204)