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In statistics, response surface methodology (RSM) explores the relationships between several explanatory variables and one or more response variables. RSM is an empirical model which employs the use of mathematical and statistical techniques to relate input variables, otherwise known as factors, to the response.
In QSAR modeling, the predictors consist of physico-chemical properties or theoretical molecular descriptors [1] [2] of chemicals; the QSAR response-variable could be a biological activity of the chemicals. QSAR models first summarize a supposed relationship between chemical structures and biological activity in a data-set of chemicals
In statistical modeling, regression analysis is a set of statistical processes for estimating the relationships between a dependent variable (often called the outcome or response variable, or a label in machine learning parlance) and one or more error-free independent variables (often called regressors, predictors, covariates, explanatory ...
The response factor can be expressed on a molar, volume or mass [1] basis. Where the true amount of sample and standard are equal: = where A is the signal (e.g. peak area) and the subscript i indicates the sample and the subscript st indicates the standard. [2]
If the response data used to estimate the model contain values that change sign, or if the lowest response value is far from zero (for example, when data are left-truncated), a location parameter, L, may be added to the response so that the expressions for the quantile function and for the median become, respectively:
Designed experiments with full factorial design (left), response surface with second-degree polynomial (right) In statistics, a full factorial experiment is an experiment whose design consists of two or more factors, each with discrete possible values or "levels", and whose experimental units take on all possible combinations of these levels across all such factors.
The model for the response is , = + + with Y i,j being any observation for which X 1 = i (i and j denote the level of the factor and the replication within the level of the factor, respectively) μ (or mu) is the general location parameter; T i is the effect of having treatment level i
It is also possible in some cases to fix the problem by applying a transformation to the response variable (e.g., fitting the logarithm of the response variable using a linear regression model, which implies that the response variable itself has a log-normal distribution rather than a normal distribution).