Split-search algorithm

The most problematic issue of the split-search algorithm as described above is that unmatched nodes may occur between matched nodes. This gap , also called an inner-NIL match, becomes harder to justify the larger it gets since the two matched parts of the molecule are assumed to interact with the same subpockets of an active site (see also Fig. 4.3). In the following, we will assume that inner-NIL matches are forbidden - which makes the development of an alternative matching algorithm necessary. We will first describe the new algorithm, called match-search, in a recursive fashion which operates on two trees A and B. 

Each potential split selected at the step 3 can be the subject of a design procedure, which can be of shortcut type or based on rigorous simulation. For some particular or innovative separators the sizing algorithm might not be available, but this fact should not hinder the procedure. It suffices that the feasibility of the task can be guaranteed by an equipment supplier, or this is put on the list of equipment for which suppliers are searched. 

N°, the trajectory of the top section is finished in point x j, the distance from which to point (x/ 1), is minimum of trial section calculations. This step of algorithm differs from the corresponding step of the algorithm for intermediate splits by the fact that tray numbers in the sections are independent variables during the process of search, but they are not determined during the process of calculation of section trajectories. A similar search is... 

The Statistica program package implements three basic algorithms for CART univariate split, linear combination split, and exhaustive search. Similarly, three stopping options can be chosen prune on misclassificafion error, prune on deviance, and direct stop [11]. 

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