test set

https://doi.org/10.1351/goldbook.11524
The set of molecules not used in any way to devise a computational model but instead are used to test its predictivity.
Note: A test set differs from a prediction set in that the molecules and their associated activities may be derived from a source other than that from which the model was derived, for example, compounds tested after the model was developed.
Source:
PAC, 2016, 88, 239. (Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)) on page 258 [Terms] [Paper]
Citation: 'test set' 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.11524 RIS BibTex EndNote
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