Layered double hydroxides (LDHs) are a class of clays with brucite like layers and intercalated anions. Hybrids of carbon nanomaterials and layered double hydroxides (C-LDHs) are promising nanomaterials due to their versatile properties and the large number of composition/preparation variables available for fine-tuning. Several techniques are available for the synthesis of these novel C-LDHs nanocomposites. This article assess developments in the synthesis and applications of C-LDHs in water and wastewater treatment via using artificial intelligence approaches. In addition, current challenges and possible strategies are discussed from the viewpoint of synthesis and application. It is concluded that the use of C-LDH is expected to produce interesting results. The anisotropic properties and good dispersion ability make them suitable to be used as particulates in the dispersion phase of electro-responsive and electro-rheological fluids. Although these materials have been tested for the removal of contaminants from single component solutions in water. In addition, application of artificial intelligence in this regard is discussed. At the end, the necessity of evaluating their performance in the removal of contaminants from multi-components solutions is proposed. Finally the challenges in obtaining material with precisely controlled particle sizes and morphology must be addressed.