Unraveling the complexity of organophosphorus pesticides: Ecological risks, biochemical pathways and the promise of machine learning

Abstract

Organophosphorus pesticides (OPPs) are widely used in agriculture but pose significant ecological and human health risks due to their persistence and toxicity in the environment. While microbial degradation offers a promising solution, gaps remain in understanding the enzymatic mechanisms, degradation pathways, and ecological impacts of OPP transformation products. This review aims to bridge these gaps by integrating traditional microbial degradation research with emerging machine learning (ML) technologies. We hypothesize that ML can enhance OPP degradation studies by improving the efficiency of enzyme discovery, pathway prediction, and ecological risk assessment. Through a comprehensive analysis of microbial degradation mechanisms, environmental factors, and ML applications, we propose a novel framework that combines biochemical insights with data-driven approaches. Our review highlights the potential of ML to optimize microbial strain screening, predict degradation pathways, and identify key active sites, offering innovative strategies for sustainable pesticide management. By integrating traditional research with cutting-edge ML technologies, this work contributes to the journal's scope by promoting eco-friendly solutions for environmental protection and pesticide pollution control.