The increasing number of cancer cases poses a significant medical and societal challenge, with over half of patients undergoing chemotherapy, which also harms healthy tissue and causes severe side effects. Recent research in circadian medicine indicates that aligning chemotherapy with patients’ biological clocks can mitigate side effects and boost treatment efficacy. Personalized mathematical models using circadian profiles can simulate individual drug dynamics, necessitating advanced computational tools to avoid overfitting. Ultimately, these models aim to optimize treatment timing, improving outcomes and patient well-being.