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Scaling models is one of the challenges for water resource planning and management, with the aim of bringing the developed models into practice by applying them to predict water quality and quantity for catchments that lack sufficient data. For this study, we evaluated artificial neural network (ANN) training algorithms to predict the water quality index in a source catchment. Then, multiple linear regression (MLR) models were developed, using the predicted water quality index of the ANN training algorithms and water quality variables, as dependent and independent variables, respectively. The most appropriate MLR model has been selected on the basis of the Akaike information criterion, sensitivity and uncertainty analyses. The performance of the MLR model was then evaluated by a variable aggregation and disaggregation approach, for upscaling and downscaling proposes, using the data from four very large- and three large-sized catchments and from eight medium-, three small- and seven very small-sized catchments, where they are located in the southern basin of the Caspian Sea. The performance of seven artificial neural network training algorithms, including Quick Propagation, Conjugate Gradient Descent, Quasi-Newton, Limited Memory Quasi-Newton, Levenberg–Marquardt, Online Back Propagation, and Batch Back Propagation, has been evaluated to predict the water quality index. The results show that the highest mean absolute error was observed in the WQI, as predicted by the ANN LM training algorithm; the lowest error values were for the ANN LMQN and CGD training algorithms. Our findings also indicate that for upscaling, the aggregated MLR model could provide reliable performance to predict the water quality index, since the r2 coefficient of the models varies from 0.73 ± 0.2 for large catchments, to 0.85 ± 0.15 for very large catchments, and for downscaling, the r2 coefficient of the disaggregated MLR model ranges from 0.93 ± 0.05 for very large catchments, to 0.97 ± 0.02 for medium catchments. Therefore, scaled models could be applied to catchments that lack sufficient data to perform a rapid assessment of the water quality index in the study area.