Application and prospects of computational models in predicting compound toxicity
Toxicity research is an important and complex scientific task that involves assessing the potential hazards of chemi-cals and other substances to human health,and plays an important role in environmental protection and sustainable development.Traditional toxicological experiments based on molecular,cellular,and animal models not only have high cost and time-consuming issues,but also have limitations in being unfriendly to animals.With the rapid development of computer technology,the research works of computational toxicology models have been emerged.Compared to traditional toxicology experiments,computational toxi-cology models have the characteristics of high efficiency,low cost,and convenience,gradually becoming one of the hot topics in toxicology research.This article introduces the research methods for predicting compound toxicity using computational models,in-cluding machine learning,and their applications in environmental protection,toxicity risk assessment,and drug design.It further discusses the shortcomings and potential development directions of computational models in toxicity prediction.
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