Multidimensional optimization programs

General programs for one-dimensional optimization are rarely included in the most recent implementations of multidimensional optimization programs. Certain... 

The final model returns the metabolic lability of novel compounds. With defined thresholds, the quantitative prediction is converted into a classification. This classification is used for flagging of compounds for experimental testing (e.g., in hit or lead evaluation). On the other hand, quantitative predictions are of value to guide compound optimization, if the applicability of the model has been demonstrated. This approach is illustrated in the following example of a multidimensional optimization program. 

Combining experimental work with innovative exploratory tools, such as multidimensional global optimization program containing advanced property-composition correlations, increases efficiency of compositional search ... 

Unconstrained optimization (nonlinear programming), 2546-2553 classictil methods, 2546-2547 conjugate gradient methods, 2552-2553 golden section method, 2547-2549 line search techniques for, 2547 multidimensional search techniques for, 2549-2552... 

Thus, the multidimensional problem is reduced to a one-dimensional optimization and it may therefore be an idea to use general one-dimensional program to handle multidimensional problems. 

It is, therefore, reasonable to think that the problem of solving nonlinear systems can be tackled by a minimization program applied to a merit function of this kind. Unfortunately, multimodality issues arise if this is done and many additional minima, to which the real solution does not correspond, are introduced, transforming the original problem of the nonlinear system into a multidimensional multimodal optimization problem. 

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