The standard error of the errors or residuals, observed minus calculated, from a computational model:
\[{\rm{SEE}} = \sqrt \frac{\sum (Y_{o} - Y_{c})^{2}}{n}\] in which
\(Y_{o}\) is the observed value of
\(Y\),
\(Y_{c}\) is the calculated value of
\(Y\), and
\(n\) is the number of observations.
Note: Sometimes also labeled root mean square deviation (RMSD).
See also: standard errors of predictions
Source:
PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 257 (https://doi.org/10.1515/pac-2012-1204)