Advances and challenges in modelling the environmental fate and exposure of pharmaceuticals: a comprehensive review

Pharmaceutical contamination in the environment poses a global concern, raising questions about potential implications for both ecology and human health. Unravelling the fate and exposure of these contaminants is crucial, as it depends on various factors, including their physicochemical properties, metabolic pathways, breakdown processes (e.g., oxidation and hydrolysis), and environmental conditions. Applying model-based approaches to assess the fate and exposure of pharmaceuticals is essential for evaluating their potential risks and impacts on the environment and public health. This paper reviews the state-of-the-art models used to predict the environmental fate and exposure of pharmaceuticals, focusing on sources, theoretical frameworks, comparative analyses of existing models, and factors such as polarity, metabolism, and breakdown processes. Additionally, the paper identifies current challenges and outlines future directions in this field.