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The problem of computational affinity estimation has grown as computers became a powerful tool of science. It is hardly to find any modern investigation that is not aided with computational models. However demands of scientists expand even faster than microelectronic industry capabilities. Numerous computational clusters help to facilitate bio- and pharmacological projects. Nevertheless the numbers of projects that require rigorous computations are growing. To deal with this problem researches worldwide have to use in their projects less accurate but computationally faster theoretical methods.

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