Drug-induced glucose-6-phosphate dehydrogenase deficiency-related hemolysis risk assessment

► We explore a classification system to predict drug-induced hemolytic potential. ► We test the performance of these models in determining hemolytic potential of drugs using some unseen drugs. ► The classification models are used to predict the hemolytic potential of over-the-counter drugs. ► Through the fingerprint pattern of training data and predicted data, we study the structural differences between high-risk and low-risk drugs.