Artificial Intelligence in Precision Drug Design: Advanced Applications showcases how artificial intelligence (AI) is revolutionizing modern drug discovery and development. Building upon the foundational principles established in Volume 1, this book dives into real-world applications where AI accelerates innovation, enhances predictive accuracy, and enables breakthrough therapeutics. Featuring contributions from leading global researchers and practitioners, the book explores machine learning, deep learning, and network-based approaches applied to complex biomedical challenges. Key areas include AI driven drug repurposing, combination therapies, immunotherapy, vaccine design, quantum computing, and the integration of large language models in drug discovery. Additional chapters highlight predictive modeling using electronic health records, AI-powered medical imaging, and explainable AI for structure-based drug design. What sets this volume apart is its emphasis on practical impact, demonstrating how data, computation, and interdisciplinary collaboration converge to advance precision medicine. Designed for scientists, clinicians, educators, and students, it serves as both a comprehensive reference and a source of inspiration for leveraging AI to transform healthcare.
1. AI in Drug Design: A Historical and Future Perspective
2. Can Machines Truly Know? Epistemological Challenges in AI-Driven Drug
Discovery
3. Ethical Implications of AI in Precision Drug Design: A Philosophical
Inquiry
4. Metaphors of Medicine: A Literary Perspective on AI in Drug Discovery,
Design and Target Precision
5. Artificial Intelligence in Molecular Screening: Advances, Challenges, and
Future Perspectives
6. AI for Predicting Pharmacokinetics and Pharmacodynamics
7. AI for Predicting Drug-Likeness and Bioavailability
8. AI-Powered In Silico ADMET Modeling and Optimization in Drug Design
9. AI-Based Toxicity Prediction: Advancing Drug Safety and Risk Assessment
10. Leveraging AI for Integrating Genomics, Transcriptomics, and Proteomics
11. Artificial Intelligence in Multi-Omics Integration for Precision Drug
Design
12. AI and Machine Learning for Disease Pathway Modelling
13. AI-Powered Genomic Medicine: Technologies and Challenges
14. PGP-Miner: An AI and Machine Learning Tool in Cancer Drug Development and
Immunotherapy
15. Artificial Intelligence for Drug Repurposing: Opportunities and
Challenges
16. Generative Artificial Intelligence for De-novo Drug Design
17. Bias and Transparency in AI and Machine Learning Models for Drug Design
18. Blockchain and AI in Drug Development: Securing Data Integrity and
Transparency
19. Counterfactual Explainability in AI-Driven Drug Discovery: Enhancing
Transparency and Decision-Making
20. Integrating AI in Pharmacovigilance and Clinical Trial Monitoring:
Enhancing Drug Safety and Efficacy in Kyrgyzstans and LMICs Evolving
Healthcare Landscape
Dr. Khalid Raza is an Associate Professor at the Department of Computer Science, Jamia Millia Islamia, New Delhi, India, and an Adjunct Professor at UCSI University, Malaysia. He has over 14 years of teaching and research experience and previously served as an ICCR Chair Visiting Professor at Ain Shams University, Egypt. Dr. Raza has published more than 160 peer-reviewed papers and authored/edited over 15 books with Springer, Elsevier, and CRC Press. He serves as Academic Editor of PLoS ONE, BMC Artificial Intelligence, and Guest Editor of npj Precision Oncology, JoVE, and several other journals. Recipient of Clarivates (Web of Science) India Excellence Research Citation Award 2025, Dr. Raza is consistently featured in the Worlds Top 2% Scientists list (20222025). His research focuses on AI, bioinformatics, and health informatics
