Includes index.

Part 1: Scientific Approaches to Data Retrieval and the Role of AI – 1. Machine Learning for Drug Designing – 2. Intervention of Artificial Intelligence in Disease Diagnosis | Part 2: Computational Approaches and Bioinformatics Information and Applications – 3. Bioinformatics for Determining the Active Site of the Target Protein – 4. Molecular Docking: A Pertinent Computational Tool in Modern Drug Designing and Discovery – 5. Bioinformatics Tools to Study Homology Modeling – 6. Target-Based Drug Designing – 7. Immunoinformatics in Drug Designing – 8. Chemoinformatics in Drug Designing | Part 3: Drug Repurposing – 9. Drug Repurposing as an Emerging Field in Drug Designing – 10. Databases in Drug Design – 11. Computational Approach for Drug Repurposing | Part 4: Research Applications of CADD and Drug Repurposing – 12. De Novo Drug Design Using Computational Tools: Inhibition of CoaBC for Tuberculosis Treatment as a Case Study – 13. Role of Artificial Intelligence in Retrosynthesis Analysis of Natural Products for Drug Design – 14. Drug Repurposing in the Quest for Newer Therapeutic Options Against Cancer – 15. Computational Approaches to Discover Novel Phytochemical Inhibitors Against SARS‑CoV‑2 – 16. Insights into Computational Repurposing of Drugs for Alzheimer’s Disease – 17. Drug Design and Discovery – 18. Sodium‑Proton Transporter Proteins: Clinical Significance as a Potential Drug Target – 19. Nanoinformatics and Its Role in Drug Designing and Discovery – 20. In Silico Homology Modeling to Identify the Anti‑Inflammatory Proteins from Raphanus sativus and Brassica oleracea.

This comprehensive reference explores computational techniques, bioinformatics, machine learning, and AI applications in drug discovery and repurposing. It covers algorithmic approaches, molecular docking, immunoinformatics, chemoinformatics, and nanoinformatics, as well as applications to diseases like cancer, Alzheimer’s, TB, and COVID‑19. It provides both foundational methodology and case study applications.