Abstract Artificial intelligence has emerged as a powerful tool for solving real-world problems in various fields. This study investigates the simulation and prediction of nitrate adsorption from an aqueous solution using modified hydrochar prepared from sugarcane bagasse using an artificial neural network (ANN), support vector machine (SVR), and gene expression programming (GEP). Different parameters, such as the solution pH, adsorbent dosage, contact time, and initial nitrate concentration, were introduced to the models as input variables, and adsorption capacity was the predicted variable. The comparison of artificial intelligence models demonstrated that an ANN with a lower root mean square error (0.001) and higher R2 (0.99) value can predict nitrate adsorption onto modified hydrochar of sugarcane bagasse better than other models. In addition, the contact time and initial nitrate concentration revealed a higher correlation between input variables with the adsorption capacity.