Deviation is simply the difference of a given value from some reference value. This reference value could be the ‘expected’ value for the given value or some indicator of the location of the distribution of values, e.g. mean.
In QSAR modeling, two kinds of deviation are possible. One is the deviation of predicted value from the actual value, otherwise known as 'residual'. Other is the deviation of a particular data-point from the reference distribution of data-points, otherwise expressed as 'standard-deviation'.
1. Frank, H. and Althoen, S.C. "The mean." Chapter 2, §B.3 in Statistics: Concepts and Applications Cambridge, Great Britain: Cambridge University Press, pp. 44, 1995.
2. Devore, J. and Peck, R. "Describing Variability in a Data Set." §4.2 in Statistics: The Exploration and Analysis of Data Duxbury, Thomson Learning, pp. 101, 2001.
Cite This As:
Dogra, Shaillay K., "Deviation" From QSARWorld--A Strand Life Sciences Web Resource.