CATMoS and Additivity Approaches to Predict Toxicity of Mixtures

The majority of existing toxicity data and tools to assess toxicity are for single compounds. However, humans are exposed to complex chemical mixtures in a variety of scenarios. Of particular interest to the U.S. Air Force are exposures to chemical mixtures experienced by airmen. Scientists at the U.S. Air Force Research Laboratory have developed a computational approach to help assess the acute oral toxicity of mixtures by using an additivity formula that estimates toxicity of a mixture based on the acute toxicity estimate of individual ingredients. Acute toxicity estimates for single chemicals were collected from existing databases or calculated using CATMoS (Chushak et al. 2021). The proposed approach was implemented in a standalone Python-based app that allows users to rapidly assess the acute toxicity for mixtures related to U.S. Air Force needs and to identify chemicals that can impact physiological performance of airmen.