This chapter focuses on utilizing waste materials as potential adsorbents for water treatment, thereby offering a twofold solution—effective removal of contaminants from water and reducing the waste burden on the environment. The research involves exploring and characterizing different waste-derived materials, such as agricultural residues, industrial by-products, and discarded materials, to evaluate their adsorption capacities for various water pollutants. Through a comprehensive series of laboratory experiments and analyses, the adsorption efficiency of these novel waste-based adsorbents is evaluated concerning different pollutants like heavy metals, organic compounds, and emerging contaminants. The study also investigates the influence of various factors, including pH, temperature, contact time, and adsorbent dosage, on the adsorption process, enabling the optimization of treatment parameters for maximum efficiency. Additionally, the work delves into computational models and artificial intelligence for removing pollutants in waste-derived adsorbents to provide valuable insights for enhancing the adsorbent's performance and designing future water treatment systems. The environmental sustainability and economic viability of waste-based adsorbents are assessed, considering factors like availability, cost-effectiveness, life cycle assessment, and ease of regeneration. Furthermore, the study evaluates the potential for large-scale implementation of waste-based adsorbents in practical water treatment scenarios, considering their compatibility with existing treatment processes. In conclusion, this research showcases the significant promise of waste-based adsorbents as efficient and eco-friendly solutions for water treatment.