Groundwater represents a critical global resource, increasingly threatened by overexploitation and pollution from contaminants such as arsenic (As), fluoride (F), nitrates (NO
3−), and heavy metals in arid to semi-arid regions like Mexico. Traditional Water Quality Indices (
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Groundwater represents a critical global resource, increasingly threatened by overexploitation and pollution from contaminants such as arsenic (As), fluoride (F), nitrates (NO
3−), and heavy metals in arid to semi-arid regions like Mexico. Traditional Water Quality Indices (
), while useful, suffer from subjectivity in assigning weights, which can lead to misinterpretations. This study addresses these limitations by developing a novel, objective Groundwater Quality Index (
) through the seamless integration of Machine Learning (ML) models. Utilizing a database of 775 wells from the Mexican National Water Commission (CONAGUA), Principal Component Analysis (PCA) was applied to achieve significant dimensionality reduction. We successfully reduced the required monitoring parameters from 13 to only three key indicators: total dissolved solids (TDSs), chromium (Cr), and manganese (Mn). This reduction allows for an 87% decrease in the number of indicators, maximizing efficiency and generating potential savings in monitoring resources without compromising water quality prediction accuracy. Six
methods and six ML models were evaluated for quality prediction. The Unified Water Quality Index (
) demonstrated the best performance among the
evaluated and exhibited the highest correlation (R
2 = 0.85) with the traditional
based on WHO criteria. Furthermore, the ML Support Vector Machine with polynomial kernel (svmPoly) model achieved the maximum predictive accuracy for
(R
2 = 0.822). This robust
-ML approach establishes an accurate, objective, and efficient tool for large-scale groundwater quality monitoring across Mexico, facilitating informed decision-making for sustainable water management and enhanced public health protection.
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