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GRID highly active compound

The last step in a CoMFA study is a partial least squares (PLS) analysis (chapter 5.3) to determine the minimal set of grid points which is necessary to explain the biological activities of the compounds. Most often good to excellent results are obtained. However, the predictive value of the model must be checked by cross-validation if necessary, the model is refined and the analysis is repeated until a model of high predictive ability is obtained. [Pg.167]

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See also in sourсe #XX -- [ Pg.133 ]



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