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Groundwater (GW) is a critical freshwater resource for billions of individuals worldwide. Rapid anthropogenic exploitation has increasingly deteriorated GW quality and quantity. Reliable estimation of complex hydrochemical properties of GW is crucial for sustainable development. Real field and experimental studies in an agricultural area from the significant sandstone aquifers (Wajid Aquifer) were conducted. For the modelling purpose, three types of computational models, including the emerging Hammerstein–Wiener (HW), back propagation neural network (BPNN), and statistical multi-variate regression (MVR), were developed for the multi-station estimation of total dissolved solids (TDS) (mg/L) and total hardness (TH) (mg/L). A geographic information system (GIS) was used for the spatial variability assessment of 32 hydrochemical and physical properties of the GW aquifer. A comprehensive visualized literature review spanning several decades was conducted in order to gain an understanding of the existing research and debates relevant to a particular GW and artificial intelligence (AI) study. The experimental data, pre-processing, and feature selection were conducted to determine the most dominant variables for AI-based modelling. The estimation results were evaluated using determination coefficient (DC), mean bias error (MBE), mean square error (MSE), and root mean square error (RMSE). The outcomes proved that TDS (mg/L) and TH (mg/L) correlated more than 90% and 70–85% with Ca²⁺, Cl⁻, Br⁻, NO3⁻, and Fe, and Na⁺, SO₄²⁻, Mg²⁺, and F⁻ combinations, respectively. HW-M1 justified promising among all the models with MBE …