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computational toxicology
How Does Computational Toxicology Work?
Computational toxicology employs various
modeling techniques
such as
quantitative structure-activity relationship (QSAR) models
,
molecular docking
, and
machine learning algorithms
. These models analyze chemical structures and predict their biological activity and potential toxicity. By simulating how chemicals interact with biological systems, researchers can identify potential
carcinogens
and understand their impact on cellular processes.
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