What Are Some Common In Silico Techniques Used in Toxicology?
Several in silico techniques are utilized in toxicology, including:
Quantitative Structure-Activity Relationship (QSAR) Models: These models predict the toxicity of compounds based on their chemical structure. QSAR models are widely used to assess the potential risks of new chemicals. Molecular Docking: This technique simulates the interaction between a chemical and a biological target, helping to understand the potential biochemical interactions that could lead to toxicity. Computational Toxicology Databases: These databases compile existing toxicity data and use machine learning algorithms to predict the toxicological profile of new compounds. Physiologically-Based Pharmacokinetic (PBPK) Modeling: PBPK models simulate the absorption, distribution, metabolism, and excretion of chemicals in the human body, providing insights into the potential toxic effects.
