Structural Properties for Determining Mechanisms of Toxic Action

摘要

The results of a workshop co-sponsored by EPA through the Health and Environmental Review Division, Office of Toxic Substances and the Environmental Research Laboratory-Duluth, of the Office of Research and Development are briefly summarized as an introduction to a series of manuscripts dealing with the structural properties of chemicals that determine their toxic mechanisms. Results of the workshop are intended to be incorporated in an expert system to predict mechanisms from chemical structure and aid in predictive toxicology applications in the Agency. The goal of the workshop was to review current understanding of fundamental mechanisms, and develop an initial knowledge base on chemical features and properties from which toxic mechanisms could be predicted from structure. Areas addressed included general anesthesia, or narcosis, oxidative phosphorylation uncoupling, electrophile and free-radical reactivity, and a variety of pesticide-based mechanisms.