computational toxicology

https://doi.org/10.1351/goldbook.15583
Application of mathematical and computer models to predict adverse effects and to better understand the mechanism(s) through which a given chemical causes harm.
Source:
PAC, 2007, 79, 1153. (Glossary of terms used in toxicology, 2nd edition (IUPAC Recommendations 2007)) on page 1194 [Terms] [Paper]