Artificial Intelligence–Driven Computational Approaches in the Development of Anticancer Drugs
Pankaj Kumar Garg, Gargi Singhal, Prakash Kulkarni, David A. Horne, Ravi Salgia, Sharad S. Singhal · Cancers · 2024
The integration of AI has revolutionized cancer drug development, transforming the landscape of drug discovery through sophisticated computational techniques. AI-powered models and algorithms have enhanced computer-aided drug design (CADD), offering unprecedented precision in identifying potential anticancer compounds. Traditionally, cancer drug design has been a complex, resource-intensive process, but AI introduces new opportunities to accelerate discovery, reduce costs, and optimize efficiency. This manuscript delves into the transformative applications of AI-driven methodologies in predicting and developing anticancer drugs, critically evaluating their potential to reshape the future of cancer therapeutics while addressing their challenges and limitations.