Abstract Characterizing the relationship between environmental factors and mobility is critical for developing a sustainable traffic signal control system. In this study, the authors investigate the correlation of the environmental impacts of transport and mobility measurements at signalized intersections. A metamodeling-based method involving experimental design, simulations, and regression analysis was developed. The simulations, involving microscopic traffic modeling and emission estimation with an emerging emission estimator, provide the flexibility of generating cases with various intersection types, vehicle types, and other parameters such as driver behavior, fuel types, and meteorological factors. A multivariate multiple linear regression (MMLR) analysis was applied to determine the relationship between environmental and mobility measurements. Given the limitations of using the built-in emissions modules within current traffic simulation and signal optimization tools, the metamodeling-based approach presented in this paper makes a methodological contribution. The findings of this study set up the base for extensive application of simulation optimization to sustainable traffic operations and management. Moreover, the comparison of outputs from an advanced estimator with those from the current tool recommend improving the emissions module for more accurate analysis (e.g., benefit-cost analysis) in practical signal retiming projects.