Statistical analysis of the structure-pesticide activity relationship for fluorine-containing organic compounds using screening data

Abstract

Statistical analysis of screening data of fluorine-containing organic compounds has been carried out separately for insecticidal, fungicidal and herbicidal activities. This analysis has been performed using computer data base information. The data base contains structures of chemical compounds, their physico-chemical properties and the quantitative experimental results of their pesticide examinations. These biological examinations were carried out at the Research Institute of Plant Protection Chemicals (Moscow, Russia). Segregation of fluorine-containing organic compounds of different classes, depending on their type of pesticide activity, was established. The statistical analysis revealed the main structural elements which determine the insecticidal, fungicidal and herbicidal activities of fluorine-containing compounds. This information is important for synthetic design in the field of new bioactive compounds.