the occurrence of toxic metals in the aquatic environment is as caused by a variety of contaminations which makes difficulty in the concentration prediction. In this study, conventional methods of backpropagation neural network (Bpnn) and nonlinear autoregressive network with exogenous inputs (NARX) were applied as benchmark models. Explanatory variables of Fe, pH, electrical conductivity, water temperature, river flow, nitrate nitrogen, and dissolved oxygen were used as different input combinations to forecast the long-term concentrations of As, Pb, and Zn. The wavelet transformation was applied to decompose the time series data, and then was integrated with conventional methods (as WNN and WNARX). The modelling performances of the hybrid models of WNN and WNARX were compared with the conventional models. All the given models were trained, validated, and tested by an 18-year data set and demonstrated based on the simulation results of a 2-year data set. Results revealed that the given models showed general good performances for the long-term prediction of the toxic metals of As, Pb, and Zn. The wavelet transform could enhance the long-term concentration predictions. However, it is not necessarily useful for each metal prediction. Therefore, different models with different inputs should be used for different metals predictions to achieve the best predictions. Due to the nature of ubiquity, toxicity at a trace level, and hard biodegradation, elevated metals in aquatic environments are a global concern 1,2. A long-term exposure of toxic metals by the ingestion of the contaminated water and fish can cause chronic diseases 3,4. For example, Arsenic (As) destroys the redox capacity of cells, affects the normal metabolism, causes tissue damage and body disorders, and even directly causes poisoning death when ingested in small quantities 5. Lead (Pb) affects nerves, digestion, urinary, reproductive and developmental, cardiovascular, endocrine, immune, bone, and other organ systems. More serious is that Pb affects the growth and mental development of infants and young children, impairs brain function such as cognition 6. In addition, a high level of Zinc (Zn) weakens immune function, leads to iron deficiency anaemia, affects the function of the digestive system, and causes damage to blood vessels 7. Due to the special significance to water quality, As, Pb, and Zn are included in the priority pollutant list by the United States Environmental Protection Agency. Therefore, it is essential to understand the environmental behaviours of toxic metal in rivers to protect the drinking water intake. Traditionally, the toxic metals in trace levels were required to be routinely sampled and determined in the laboratory. However, there are some constraints for the environmental managers to adequately and timely receive the metal contents and respond to the metal pollution, such as (i) expense of field monitoring, (ii) staffs availability and resources, (iii) field safety issues, and (iv) large time intervals between data collection, r...