The Center for Computational Toxicology is a broad, interdisciplinary partnership with a mission to devise novel experimental approaches and computational tools/methods with direct relevance to human health assessments. Our research supports activities of Tox21 and NexGen by focusing on the following Objectives

Risk Characterization

The relevance of the Objectives of this proposal (circles) to the risk characterization and regulatory decision-making components of the vision for “Toxicity testing in the 21st century” [modified from (Krewski et al., Annu Rev Public Health 32: 161-178, 2011)].

Objective 1: Develop a quantitative high-throughput screening (qHTS) approach to probe differential chemical effects in a population-based in vitro system

Objective 2: Provide the computational toxicology solutions for risk characterization in NexGen assessments with a focus on point-of-departure and population variability

Objective 3: Develop cheminformatics-based, as well as enhanced chemical-biological, models of in vivo reproductive and developmental toxicity that rely on concomitant exploration of chemical descriptors and population-based screening data