Background, Tasks, Modeling Methods, and Challenges for Computational Toxicology

摘要: Sound chemicals management requires scientific risk assessment schemes capable of predicting physical–chemical properties, environmental behavior, and toxicological effects vast number chemicals. However, the current experimental system cannot meet need for large ever-increasing Meanwhile, approaches are not sufficient toxicology to thrive in era information. Thus, an auxiliary yet critical field complementing sector has emerged: computational toxicology. Computational is interdisciplinary based especially on chemistry, chemo-bioinformatics, systems biology, etc., it aims at facilitating efficient simulation prediction exposure, hazard, through various silico models. profoundly changed way people view interpret basic concepts this continuously borrowing ideas from exterior fields, which greatly promotes innovative development In chapter, backgrounds tasks firstly introduced. Then, a variety models linking key information involved continuum source adverse outcome, such as emission, concentrations compartments, exposure biological target sites, efficacy or thresholds described discussed. Finally, challenges parameterization proposed models, representation complexity living systems, modeling interlinked mixtures also