Chromium (VI) is a well-known toxic, industrial, water pollutant which has various, adverse effects on environmental health. Utilization of agricultural waste in effluent water treatment would minimize the problem of water pollution. The present study deals with the use of three types of nut shells for Cr(VI) removal. Adsorbents are characterized, using point of zero charges (pH pzc), FTIR, BET surface area analysis, and SEM. The variation of different operating parameters on metal removal was conducted. The best sorption kinetic model was pseudo-second order. The adsorption process is both physical and chemical, and this depends on temperature. The Cr(VI) adsorption is spontaneous and endothermic. According to isotherm studies, Langmuir isotherm model fits fairly well for all adsorbents. Regeneration studies suggest that the adsorbents have proper regeneration criteria and can be used for multiple times. Study on RBC count of Gallus gallus domesticus gives concrete evidence of deadly effects of Cr(VI). It also figures out that the effluent solution treated with bio-adsorbents is less harmful. The scale-up design procedure is reported here. This study proved that groundnut shell, walnut shell, and almond shell have immense potential and can be utilized even after regeneration as replacement of commercial adsorbents for industrial wastewater. GA-ANN modeling has been developed for the best possible wastewater treatment management. Keywords Groundnut shell • Walnut shell • Almond shell • Pseudo-second order • Langmuir model • Genetic algorithm List of symbols A H Harkins-Jura isotherm constant A T Equilibrium binding constant of Temkin isotherm (L/g) a e Adsorption rate (initial) (mg/(g min)) B Heat of adsorption (J/mol) B H Harkins-Jura isotherm constant b Constant of Langmuir model (L/mg) b e Chemisorption activation energy (g/mg) b T Constant of Temkin isotherm C External convective mass transfer (mg/g) C a Cr(VI) ion concentration at the adsorbent at equilibrium (mg/L) C 0 Cr(VI) ion concentration (initial) (mg/L) C e Cr(VI) ion concentration at equilibrium (mg/L) C t Ion concentration of Cr(VI) at time t (mg/L) D e Absorbate's effective diffusion coefficient in the absorbent phase (m 2 /s) E Adsorption free energy (KJ/mol) ΔG 0 Gibbs free energy change (kJ/mol) ΔH 0 Enthalpy change (kJ/mol) K Fractional power model constant (mg/g) k 1 Rate constant of Lagergren model (min −1) k 2 Rate constant of pseudo-second-order model (g/ mg min) K ad Rate constant of Natarajan and Khalaf model (min −1) K f Constant of Freundlich model (mg/g)/(mg/L) 1/n k i Rate constant of intraparticle diffusion model (mg/(g min 0.5)) K 0 c Thermodynamic equilibrium constant K ∕ c Apparent equilibrium constant