Pharmacology, Toxicology and Environmental Health Commons^™

Predicting Metal Interactions With A Novel Quantitative Ion Character -Activity Relationship (Qicar) Approach, David R. Ownby

Dissertations, Theses, and Masters Projects

Environmental toxicologists adopted QSARs from pharmacology fairly early on to predict organic contaminant toxicity. In contrast, models relating metal ion characteristics to their bioactivity remain poorly explored and underutillized. Quantitative Ion Character-Activity Relationships (QICARs) have recently been developed to predict metal toxicity. The QICAR approach based on metal-ligand binding tendencies has been applied to a wide range of effects, species, and media on a single metal basis. In previous single metal studies, a softness parameter and the ; log of KOH ; were the ion qualities with the highest predictive value for toxicity. Here, QICAR modeling was brought a step …