Computational Pharmaceutics: A Comprehensive Review of Past Achievements, Present Applications, and Future Challenges
Yogesh Subhash Chaudhari, Manisha Yogesh Chaudhari, Abhijeet Vishnu Puri, Mahesh Nemade · Preprints.org · 2024
This paper explores the transformative impact of computational pharmaceutics, integrating AI, multi-scale modeling, quantum computing, AI-driven drug discovery, and blockchain frameworks. Molecular dynamics simulations provide insights into atomic behaviors crucial for drug design. Quantum computing reduces computational costs for simulating protein-drug interactions. AI and Graph Neural Networks accelerate drug discovery and personalized medicine. Blockchain frameworks facilitate secure pharmacogenetic data sharing. These advancements revolutionize drug development, offering unprecedented efficiency, innovation, and personalized treatments.