Computational toxicology
From Wikipedia, the free encyclopedia
Computational toxicology is a multidisciplinary field and area of study, which is employed in the early stages of drug discovery and development to predict the safety and potential toxicity of drug candidates. It integrates in silico methods, or computer-based models, with in vivo, or animal, and in vitro, or cell-based, approaches to achieve a more efficient, reliable, and ethically responsible toxicity evaluation process. Key aspects of computational toxicology include the following: early safety prediction, mechanism-oriented modeling, integration with experimental approaches, and structure-based algorithms. Sean Ekins is a forerunner in the field of computational toxicology among other fields.[1][2][3]
