The article deals with the modeling of the influence of production factors on the volume of gross output of the agricultural sector of Ukraine and Zaporizhzhia region using the modified Cobb–Douglas production function, taking into account the needs of sustainable development. The four-factor Cobb–Douglas function was used to estimate the parameters of production functions that describe the impact of variables (physical and human capital, pollutant emissions) on the gross output of agricultural enterprises in Ukraine and Zaporizhzhia region. Balance equations and construction of isoquants in the form of surfaces in three-dimensional space are used to model optimal combinations of production function factors (balance of three factors with the fourth factor fixed). The Python ecosystem is used to process the array of data and visualize it. The result of using the Cobb–Douglas production function for modeling, which takes into account economic, social, and environmental factors, shows increasing returns to scale for agricultural enterprises in Ukraine. It is shown that the economic growth in the agricultural sector of Ukraine is mainly due to the quantitative and qualitative parameters of human potential, and is also associated with the growth of capital investments and the reduction of pollutant emissions. The political and institutional processes that take place in different periods also affect the value of the coefficients of the production function. Therefore, the modeling of economic growth in agriculture in Zaporizhzhia region needs to take into account other factors of competitiveness (institutional, political, infrastructural, etc.).