The future of Computer-Aided Drug Discovery (CADD) methods is
characterized by transformative innovations. Artificial intelligence and machine
learning are enhancing accuracy in predicting drug-target interactions and
pharmacokinetics, with deep learning models leading in performance. Quantum
computing is poised to revolutionize molecular simulations. Big data and omics
integration enable precision medicine, tailoring treatments to individual patient
profiles. Cloud-based platforms democratize CADD tools and promote global
collaboration. Ethical considerations, data privacy, and regulatory challenges are
gaining prominence. With robust ethical guidelines and regulatory frameworks, the
future of CADD promises safer and more efficient drug discovery, ensuring that novel
therapies meet the diverse needs of patients worldwide.
Keywords: Applications, Artificial intelligence, Computer-aided, Drug discovery, Future, Quantum computing.
