Chemical Screening: Computational toxicology can rapidly screen large libraries of chemicals to identify those with potential carcinogenic properties, reducing the need for extensive animal testing. Drug Development: By predicting the toxicity of new drug candidates, computational models help in designing safer and more effective anticancer drugs. Risk Assessment: These models assist in assessing the risk posed by environmental and occupational exposure to potential carcinogens, informing regulatory decisions and public health policies. Mechanistic Insights: Computational toxicology provides insights into the mechanisms by which chemicals induce cancer, aiding in the development of targeted prevention and treatment strategies.