Water contamination undermines human survival and economic growth. Water resource protection and management require knowledge of water hydrochemistry and drinking water quality characteristics, mechanisms, and factors. Self-organizing maps (SOM) have been developed using quantization and topographic error approaches to cluster hydrochemistry datasets. The Piper diagram, saturation index (SI), and cation exchange method were used to determine the driving mechanism of hydrochemistry in both surface and groundwater, while the Gibbs diagram was used for surface water. In addition, redundancy analysis (RDA) and a generalized linear model (GLM) were used to determine the key drinking water quality parameters in the study area. Additionally, the study aimed to utilize Explainable Artificial Intelligence (XAI) techniques to gain insights into the relative importance and impact of different parameters on the entropy water quality index (EWQI). The SOM results showed that thirty neurons generated the hydrochemical properties of water and were organized into four clusters. The Piper diagram showed that the primary hydrochemical facies were HCO3−-Ca2+ (cluster 4), Cl---Na+ (all clusters), and mixed (clusters 1 and 4). Results from SI and cation exchange show that demineralization and ion exchange are the driving mechanisms of water hydrochemistry. About 45 % of the studied samples are classified as “medium quality”,” that could be suitable as drinking water with further refinement. Cl− may pose increased non-carcinogenic risk to adults, with children at double risk. Cluster 4 water is low-risk, supporting EWQI findings. The RDA and GLM observations agree in that Ca2+, Mg2+, Na+, Cl− and HCO3− all have a positive and significant effect on EWQI, with the exception of K+. TDS, EC, Na+, and Ca2+ have been identified as influencing factors based on bagging-based XAI analysis at global and local levels. The analysis also addressed the importance of SO4, HCO3, Cl, Mg2+, K+, and pH at specific locations.