Hygiene and Sanitation №3 2008

Kirlan S. A., Sementeyeva L. Sh., Tyurina L. A.

Molecular design and prediction of chemical compounds from the complex of properties activity-toxicity 

A relationship was studied between the structure, anthelmintic and herbicidal activities and toxicity of the derivatives of benzimidazole, sulfonyl urea, and hydrocarboxylic acids. Reliable mathematical recognition and prediction models were developed. Molecular design and prediction of potentially active structures with low toxicity and low-toxic compounds with a complex of properties (herbicidal, growth-regulating, and fungicidal activities) were accomplished.