Background: Today the methods of mathematical modeling and the forecast of xenobiotics’ toxicity of fungicides and herbicides do not exist in Ukraine and many other countries, and there are no legal basis for the use of the conclusions and threshold values obtained by the European experts as well.

Objective: We performed a hygienic substantiation of calculation models for the fungicides of different toxicity classes depending on their physical-and- chemical properties.

Materials and methods: For the analysis we used the parameters of toxicometry and physical-and-chemical indices of the fungicides widely applied in the world agriculture. IBM SPSS StatisticsBase v.22 and MS Exсel statistical program packages were used for the statistical processing of the results.
Results and discussion: The linear and non-linear regression equations, taking into account correlation dependences between the toxic properties of fungicides of the class of pyrazole-carboxamides and carboxamides, triazoles, imidazoles, carbamates and dithiocarbamates, methoxyacrylates and their physico-chemical properties, were developed. In the most cases the values, calculated by our formulas, correlates with experimentally established ones.

Conclusions: It was proved that the proposed calculation models for the forecast of the hazard of studied fungicides were adequate and statistically reliable ones. The developed algorithm simplifies substantially the performance of the toxicological experiments and accelerates the procedure of the registration of new fungicides of studied classes if there are data on physical- and- chemical properties of the studied compounds.

Fungicides, toxicology, calculation models, regression equations

1. Anton C., Deng J., Wong Y.S., Zhang Y., Zhang W., Gabos S., Huang D.Y. and Jin C. Math Biosci Eng. 2017 ; 14(3) : Р. 581–606. https://doi.org/10.3934/mbe.2017034

2. Norton A., Sathish J., Webb S., Aarons L., Beattie K., Eljazi R. et al. Mathematical Modelling of Chronic Drug Infusion for Toxicity Assessment / UK Mathematics-in-Medicine NC3Rs Study Group. 2013 : 25 р. URL : http://www.maths-in-medicine.org/uk/2013-nc3rs/drug-toxicity/report.pdf

3. Zherdev N.A. Vestnik Yuzhnogo nauchnogo tsentra RAN. 2008 ; 4 (4) : 63–67 (in Russian).

4. Novikov S.M., Poroykov V.V. and Semenovykh L.N. Hihiena I sanitariia. 1994 ; 5 : 4–8 (in Russian).

5. Pryiednannia Ukrainy do Konventsii pro zakhyst tvaryn, shcho vykorystovuiutsia dlia naukovykh tsilei [Joining of Ukraine to the Convention for the Protection of Animals Using for Scientific Purposes]. 2017. (in Ukrainian). URL : http://ukrainepravo.com/international_law/public_international_law/tuyzherarrya-tsnualry-es-nsrvyershchkl-tus-iashyfkh-khvauyr-s-vynsuyfkhsvtsyukhefya-eoya-ratsnsvysh-/.

6. Pesticides property database (PPDB) : URL : http://www.rupest.ru/ppdb

7. EU – Pesticides database : Maximum Residue Levels. URL : http://ec.europa.eu/food/plant/pesticides/max_residue_levels/index_en.htm

8. The Japan Food Chemical Research Foundation. Positive List System for Agricultural Chemical Residues in Foods : Maximum Residue Limits (MRLs) List of Agricultural Chemicals in Foods. URL : http://www.m5.ws001.squarestart.ne.jp/foundation/search.html

9. Health Canada : Maximum Residue Limits for Pesticides. URL : http://pr-rp.hc-sc.gc.ca/mrl-lrm/index-eng.php

10. Perelik pestyzydiv I ahrokhimikativ, dozvolenykh do vykorystannia v Ukraini. Ofitsiine vydannia [List of Pesticides and Agrochemicals Permitted for Use in Ukraine]. Кyiv : Yuniwest Меdіа ; 2016 : 1026 p. (in Ukrainian).

11. Pradhan A., Markande S.K. and Kurre R.K. Journal of Industrial Pollution Control. 2014 ; 30 (2) : 223–226.

12. Batian А.N., Frumin G.Т. and Bazylev V.N. Основы общей и экологической токсикологи. Osnovy obshchey I ekologicheskoy toksikilogii [Basis of General and Ecological Toxicology]. Sankt-Peterburg : SpezLit ; 2009 : 352 p. (in Russian).

13. Kurliandskiy B.A. and Filova V.A. (eds.) Общая токсикология. Obshchaya toksikologiya [General Toxicology]. Мoscow : Меditsina ; 2003 : 608 p. (in Russian).

14. Yermolova L.V., Prodanchuk М.G. and Leposhkin І.V. Sovremennye problemy toksikologii. 2007 ; 1 : 27–29 (in Ukrainian).