Solution structure generation algorithm networks

Subsequent to the generation of the maximum structure, the combinatorially feasible network structures are exhaustively recovered as the solution-structures by resorting to algorithm SSG. Each solution-structure signifies a combinatorially feasible network of pathways linking the raw materials to the products. Nevertheless, not all the solution-structures are necessarily feasible due to the violation of the mass balances in or around... 

All of the algorithms described in this article have been based on an assembly of structural fragments. Recently, a new approach of 3D structure elucidation from infrared spectra by counterpropagation neural networks has been reported. Although the output structure depends on the training data set, the mechanism is quite different from the conventional method. This method is probably useful in cases where the solution space is restricted. The complementary use of both methods may open the door to new fields enhanced by structure generation. 

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