Publication details
Transformation of a Free-Wilson Matrix into Fourier Coefficients
| Authors | |
|---|---|
| Year of publication | 2001 |
| Type | Article in Periodical |
| Magazine / Source | Quant. Struct.-Act. Relat. |
| MU Faculty or unit | |
| Citation | |
| Field | Physical chemistry and theoretical chemistry |
| Keywords | Free-Wilson matrix; Fourier transform; multivariate regression; standard error of prediction; statistical importance of the regression |
| Description | Fourier Transform is suggested as a way to change site and substituent oriented variables into new only latently dependent ones. It is possible to find out a model with a low standard error of prediction, SEP%, of activity for not yet prepared compounds. Testing power of the correlation coefficient is improved by calculating a probability, PR, that the regression is made only by chance. |
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