USING ARTIFICIAL INTELLIGENCE IN STUDYING THE MECHANISMS OF ACTION OF ORGANOPHOSPHORUS COMPOUNDS

Abstract

The article examines the theoretical foundations of applying artificial intelligence in the study of organophosphorus compounds. The mechanisms of their toxic action, associated with the inhibition of acetylcholinesterase, are described, as well as approaches to predicting biological activity based on QSAR models. The capabilities of machine learning methods, molecular docking, and molecular dynamics for studying the interaction of compounds with biological targets and the development of antidotes are demonstrated. The importance of integrating AI into medicinal chemistry and toxicology is noted, as well as the need to take into account the ethical aspects of research.