In this study, sage, chamomile, and tarragon leaves, which are used as spices and consumed as beverages in daily life, were considered as different biosorbents that can be used in water purification by biosorption. At the same time, the effects of the parameters of initial dye concentration (10-200 mg/L), temperature (20-50 ⁰C) and contact time (0-120 min) on biosorption capacity were investigated. The biosorption processes were found to follow Freundlich isotherm and pseudo-second order (PSO) reaction kinetics. In the study, the process was also modeled using multi-tree evolutionary computation based automatic programming (AP) methods. The methods used initial dye concentration, temperature, and contact time as variables. According to the simulation results, these methods obtained nonlinear mathematical models of the processes with R^2 values as high as 0.99 for each biosorbent. By providing the most accurate models to accurately predict biosorption capacity, this study will make a significant contribution to the field of water treatment using experimental and AP methods.