Aquatic ecosystems are crucial for maintaining ecological balance, yet they are increasingly threatened by pollutants such as pharmaceuticals, heavy metals, microplastics, and industrial chemicals. Aquatic toxicology plays a vital role in assessing and mitigating these threats to ensure environmental sustainability. Recent advancements in bioinformatics have enhanced toxicological studies by enabling high-throughput data analysis, predictive modelling, and biomarker identification. This integrative approach allows for a more comprehensive understanding of toxic effects at the molecular and ecosystem levels. Computational tools facilitate the identification of pollution sources, their biological impacts, and potential remediation strategies. By combining bioinformatics with traditional toxicological methods, researchers can improve risk assessment and develop effective mitigation techniques. This review explores the application of bioinformatics in aquatic toxicology, emphasising its potential to revolutionise environmental monitoring and conservation efforts. Future research should focus on refining computational models to enhance predictive accuracy and environmental protection strategies.