Application of computational toxicological approaches in human health risk assessment. I. A tiered surrogate approach

► We develop a tiered surrogate approach for predicting toxicity of data-poor chemicals. ► We examine three types of surrogates, i.e., structural, metabolic, and toxicity-like. ► A weight-of-evidence approach was used to select the best surrogate chemical. ► Surrogate toxicity values can be used as part of human risk assessment. ► Surrogate toxicity values can be part of screening and clean-up considerations.