The Role of Artificial Intelligence in Enhancing Small Molecule-Based Cancer Treatments

Cancer continues to pose a significant global health challenge, marked by its complexity and high mortality rate. Traditional treatments such as surgery, chemotherapy, and radiation therapy, though essential, often have significant limitations and side effects. The pressing need for more effective and targeted therapies has spurred the development of small molecule drugs, which offer precision by specifically targeting molecular pathways involved in cancer progression. Recent breakthroughs in biotechnology and computational sciences, particularly artificial intelligence (AI), have revolutionized cancer therapy. AI technologies, including machine learning and deep learning, facilitate the analysis of vast genomic and clinical datasets, accelerating the identification of novel therapeutic targets and optimizing drug candidates. AI- driven methods enhance the precision of virtual screening, lead optimization, and personalized medicine, tailoring treatments to individual patient profiles and improving outcomes. Despite challenges such as data quality and model interpretability, the integration of AI in drug discovery and development holds immense promise. Continued innovation and collaboration among academia, industry, and regulatory bodies are essential to overcoming these challenges and advancing the future of cancer therapy. This chapter delves into the transformative impact of AI on small molecule cancer therapy, emphasizing its role in enhancing treatment precision and patient outcomes.