This is an old revision of this page, as edited by Expulldordiamania (talk | contribs) at 02:06, 1 January 2025 (←Created page with ''''Computational toxicology''' is a multidisciplinary tool 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 (computer-based models) with in vivo (animal) and in vitro (cell-based) approaches to achieve a more efficient, reliable, and ethically responsible toxicity evaluation process. Key aspects of computational toxicology include: early safety pre...'). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.
Revision as of 02:06, 1 January 2025 by Expulldordiamania (talk | contribs) (←Created page with ''''Computational toxicology''' is a multidisciplinary tool 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 (computer-based models) with in vivo (animal) and in vitro (cell-based) approaches to achieve a more efficient, reliable, and ethically responsible toxicity evaluation process. Key aspects of computational toxicology include: early safety pre...')(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)Computational toxicology is a multidisciplinary tool 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 (computer-based models) with in vivo (animal) and in vitro (cell-based) approaches to achieve a more efficient, reliable, and ethically responsible toxicity evaluation process. Key aspects of computational toxicology include: early safety prediction, mechanism-oriented modeling, integration with experimental approaches, and structure-based algorithms. Sean Ekins is a forerunner in computational toxicology.
- Merlot, Cédric (January 2010). "Computational toxicology—a tool for early safety evaluation". *Drug Discovery Today*. **15** (1–2): 16–22. Genyotex SA, Chemin des Aulx 14, 1228 Plan-les-Ouates, Geneva, Switzerland. DOI:10.1016/j.drudis.2009.11.016.
- Kavlock, Robert J., Ankley, Gerald, Blancato, Jerry, Breen, Michael, Conolly, Rory, Dix, David, Houck, Keith, Hubal, Elaine, Judson, Richard, Rabinowitz, James, et al. (May 2008). "Computational Toxicology—A State of the Science Mini Review". *Toxicological Sciences*. **103** (1): 14–27. Published by Oxford University Press. DOI:10.1093/toxsci/kfm297.
- Ekins, Sean (Editor). *Computational Toxicology: Risk Assessment for Chemicals (Wiley Series on Technologies for the Pharmaceutical Industry)*. 1st ed., Wiley, February 13, 2018. ISBN: 978-1119282563.