Domestic and foreign investigations of the recent decades, devoted to obtaining composite sorbents and applying them in purification of waste water from such nonferrous heavy metals as copper, zinc, nickel, and cadmium, were analyzed. It was shown that the set of the desired characteristics such as high capacity, selectivity, wide working pH range, chemical and mechanical resistance, and a possibility of multiple regeneration can be imparted to the sorption material through the synthesis of the composites from several compounds. The possibility of determination of the optimum synthetic conditions for the composite sorbents (temperature, pressure, process regime, necessary reagents, and proportions between them) with the help of the computations using the methods of quantum chemistry and chemoinformatics was indicated. The composite sorbents were classified into the organic, inorganic, and organomineral ones, depending on the chemical nature of the compounds constituting them. The synthesis process for each type of composite sorbents was described briefly; the selectivity series of heavy metals and the capacity for them were given; where it was possible, the conditions of desorption and regeneration were given.