Research Article | Open Access | 10.31586/Biochemistry.0101.06

Bioactivity - Structure. Interrelation of Electronic and Information Factors of Biologically Activity of Chemical Compounds

  • Mukhomorov V.K. Agrophysical Institute, St.-Petersburg, 195220, Russia


The biological activity of chemical compounds is analyzed using electronic and information factors. We found a linear interrelation between the electronic and information factors of molecules. Moreover, these molecular factors are calculated from different principles. Electronic factor is determined by the quantum-mechanical method from the molecular pseudopotential, whereas the information factor is determined by using the information function. It is shown that these factors are separated off statistically significant bioactive chemical compounds of inactive chemicals. To determine these factors is sufficient to know only the chemical formula of molecules. We analyzed the chemical compounds for toxicity, antiradiation activity, carcinogenicity, antifungal activities. To identify biologically active chemical compounds we used the statistical conjugation method of qualitative attributes.

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