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