Research Article
Statistical Aspects of the Interrelation between the Biological Activity of Chemical Compounds and their Molecular Structure
Mukhomorov VK*
Corresponding Author: Mukhomorov VK, Universita degli Studi di Napoli “Federico II” Via Cintia, I-80126, Napoli.
Received: September 12, 2016; Accepted: November 15, 2016; Published: April 12, 2017;
Citation: Mukhomorov VK.(2017) Statistical Aspects of the Interrelation Between the Biological Activity of Chemical Compounds and their Molecular Structure. J Chem Sci Eng, 1(1): 1-14.
Copyrights: ©2017 Mukhomorov VK. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
 

An attempt was made to construct an adequate model of interrelation of radioprotective properties of biologically active chemical compounds with their electronic and information factors. Biological activity (radiation protective effects) of chemical compounds has been analyzed in relation to their electronic sign and the information function. Statistical comparison of qualitative indices has revealed that electronic and information signs the most informative characteristics of the molecules responsible for radiation protective action. Correlation equations are given for electronic and information dependent change in the antiradiation properties of the molecule. Quantitative estimates were made associating the protective efficiency of the chemical compounds under study with variations in the electronic parameters and dose of chemicals.

 

Keywords: Bioactivity, Statistics, Molecular Structure, Electronic Sign, Information Function, Radioprotector, Statistical Criterion, Contingency, Correlation.

 

Abbreviation: I.P: Intraperitonel, A.R.P: Antiradiation Protection, RE: Radioprotective Efficiency, RMSE: Root Mean Square Error.


  1. Alexander P, Bacq ZM, Cousens SF, Fox M, Herve A, Lazar J, et al. (1955) Mode of action of some substances which protect against the lethal effects of x-rays. Radiat Res 2: 392.
  2. Veljkovič V, Lalovič D (1977) Simple theoretical criterion of chemical carcinogenicity. Experientia 33: 1228.
  3. Veljkovič V, Lalovič D (1973) General model pseudopotential for positive ions. Phys Lett A 45: 59.
  4. Sweeney TR (1979) A Survey of Compounds from the Antiradiation Drug Development Program. Washington.
  5. Romantcev EF (1968) Radiation and chemical protection. Moscow.
  6. Handbook of Applicable Mathematics (1984) Vol.VI. Statistics. Part B. John Willey & Sons. Chichester-New York-Brisborne-Toronto-Singapore.
  7. Pustyl'nik EI (1978) Statistical methods for the analysis and processing of observations. Moscow.
  8. Förster E, Rönz B (1979) Methoden der Korrelations – und Regressionanalyse. Berlin.
  9. Fleiss JL (1981) Statistical Methods for Rates and Proportions. Chichester-New York-Brisborne-Toronto-Singapore.
  10. Urbach VY (1975) Statistical analysis in biological and medical studies. Moscow.
  11. Shannon C (1948) A mathematical theory of communication. Bell Techn J 27: 379.
  12. Mukhomorov VK (2012) Modeling of chemical compounds bioactivity. Relationships of structure - bioactivity. Lambert Academic Publisher, Germany.
  13. Yaschunsky VG (1975) Progress in the search for chemical protective agents against radiation. Russ Chem  Rev 44: 260.
  14. Leo A, Hansch C, Elkins D (1971) Partition coefficients and their uses. Chem Rev 71: 525.
  15. Mukhomorov VK (2014) Bioactivity-structure. Interrelation of electronic and information factors of biologically activity of chemical compounds. Trends J Sci Res 1: 38.
  16. Mukhomorov VK (2011) Entropy approach to the study of biological activity of chemical compounds: The other side of radioprotectors. Adv Biol Chem 1: 1. 

 

RELATED JOURNALS