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Single compound design chapter

Cross-validation, in which objects are eliminated and only the excluded objects are predicted from the resulting model to check its stability and validity (see chapter 5.3 for a detailed description), seems to be a too crude instrument to (automatically) decide on the validity of a QSAR regression equation. Cross-validation may be applied to relatively large data sets. But if only few compounds are included in the QSAR equation, if a certain parameter is mainly based on a single data point, or if the compounds have been selected according to a rational design procedure, e.g. a D-optimal design (chapter 6), cross-validation may incorrectly indicate a lack of validity of the QSAR model. [Pg.99]

Over the last few years, the injection-molded bulk molding compound (BMC/Chapter 4) hatchback program of Citroen has developed to a two-part design using an outer skin for class A surface and an inner panel providing mechanical properties, injected from a single port on the parting line (which produces fewer weld lines, no need for a cold... [Pg.514]


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Compound, compounds design

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