Open Access. Powered by Scholars. Published by Universities.®

Medicinal-Pharmaceutical Chemistry Commons

Open Access. Powered by Scholars. Published by Universities.®

Pharmacology, Toxicology and Environmental Health

Dissertations (2009 -)

Articles 1 - 1 of 1

Full-Text Articles in Medicinal-Pharmaceutical Chemistry

Hybrid Computational Toxicology Models For Regulatory Risk Assessment, Prachi Pradeep Apr 2015

Hybrid Computational Toxicology Models For Regulatory Risk Assessment, Prachi Pradeep

Dissertations (2009 -)

Computational toxicology is the development of quantitative structure activity relationship (QSAR) models that relate a quantitative measure of chemical structure to a biological effect. In silico QSAR tools are widely accepted as a faster alternative to time-consuming clinical and animal testing methods for regulatory risk assessment of xenobiotics used in consumer products. However, different QSAR tools often make contrasting predictions for a new xenobiotic and may also vary in their predictive ability for different class of xenobiotics. This makes their use challenging, especially in regulatory applications, where transparency and interpretation of predictions play a crucial role in the development of ...