prediction set

https://doi.org/10.1351/goldbook.11493
Molecules that have been set aside from model development to test the reliability of the derived model.
See also: test set
Source:
PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 253 (https://doi.org/10.1515/pac-2012-1204)