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. 2011 Jun 30:2:33.
doi: 10.3389/fphar.2011.00033. eCollection 2011.

In silico toxicology - non-testing methods

Hannu Raunio  1
Affiliations

In silico toxicology - non-testing methods

Hannu Raunio. Front Pharmacol. .

Abstract

In silico toxicology in its broadest sense means "anything that we can do with a computer in toxicology." Many different types of in silico methods have been developed to characterize and predict toxic outcomes in humans and environment. The term non-testing methods denote grouping approaches, structure-activity relationship, and expert systems. These methods are already used for regulatory purposes and it is anticipated that their role will be much more prominent in the near future. This Perspective will delineate the basic principles of non-testing methods and evaluate their role in current and future risk assessment of chemical compounds.

Keywords: REACH; in silico; modeling; toxicity.

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References

    1. Adler S., Basketter D., Creton S., Pelkonen O., van Benthem J., Zuang V., Andersen K. E., Angers-Loustau A., Aptula A., Bal-Price A., Benfenati E., Bernauer U., Bessems J., Bois F. Y., Boobis A., Brandon E., Bremer S., Broschard T., Casati S., Coecke S., Corvi R., Cronin M., Daston G., Dekant W., Felter S., Grignard E., Gundert-Remy U., Heinonen T., Kimber I., Kleinjans J., Komulainen H., Kreiling R., Kreysa J., Leite S. B., Loizou G., Maxwell G., Mazzatorta P., Munn S., Pfuhler S., Phrakonkham P., Piersma A., Poth A., Prieto P., Repetto G., Rogiers V., Schoeters G., Schwarz M., Serafimova R., Tähti H., Testai E., van Delft J., van Loveren H., Vinken M., Worth A., Zaldivar J. M. (2011). Alternative (non-animal) methods for cosmetics testing: current status and future prospects-2010. Arch. Toxicol. 85, 367–485 10.1007/s00204-011-0693-2 - DOI - PubMed
    1. Andersen M. E., Krewski D. (2009). Toxicity Testing in the 21st century: bringing the vision to life. Toxicol. Sci. 107, 324–330 10.1093/toxsci/kfn255 - DOI - PubMed
    1. Blaauboer B. J. (2008). The contribution of in vitro toxicity data in hazard and risk assessment: current limitations and future perspectives. Toxicol. Lett. 180, 81–84 10.1016/j.toxlet.2008.06.511 - DOI - PubMed
    1. Blaauboer B. J., Barratt M. D., Houston J. B. (1999). The integrated use of alternative methods in toxicological risk evaluation. ECVAM integrated testing strategies task force report 1. Altern. Lab. Anim. 27, 229–237 - PubMed
    1. Boobis A., Gundert-Remy U., Kremers P., Macheras P., Pelkonen O. (2002). In silico prediction of ADME and pharmacokinetics. Report of an expert meeting organised by COST B15. Eur. J. Pharm. Sci. 17, 183–193 10.1016/S0928-0987(02)00185-9 - DOI - PubMed

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