q2

https://doi.org/10.1351/goldbook.11498
The square of the leave-one-out cross-validation regression coefficient calculated from the variance of the observed versus predicted values of the target property, usually potency, of each compound when eliminated during cross-validation.
Note: This is related to r2, which is calculated as the fit of the observed to calculated for the whole dataset.
Source:
PAC, 2016, 88, 239. (Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)) on page 254 [Terms] [Paper]
Citation: 'q2' 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.11498 RIS BibTex EndNote
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