Artificial Intelligence in Drug Discovery and Pharmaceutical Care: A Narrative Review

Authors

  • Ramesh K Thanthai Roever College of Pharmacy Author https://orcid.org/0009-0004-4307-105X (unauthenticated)
  • Kalaivani R Thanthai Roever College of Pharmacy Author
  • Nepolean R Thanthai Roever College of Pharmacy Author
  • Thawfiq Rahman M Thanthai Roever College of Pharmacy Author
  • Suganthan US Thanthai Roever College of Pharmacy Author
  • Lagishetty Radhakrishna Department of Pharmacology, Government Medical college Khammam, Telangana, India. Author

DOI:

https://doi.org/10.33974/my0k6s23

Keywords:

Artificial intelligence , Drug development , Drug discovery , Machine learning , Pharmacy Practice

Abstract

Artificial intelligence (AI) is quickly changing the field of pharmacy and pharmaceutical sciences by making healthcare and drug-related processes more efficient, more accurate, and faster. With the help of AI technologies like machine learning and deep learning, the deep analysis of voluminous biological, chemical, and clinical data is possible, and this facilitates enhanced decision-making in drug discovery and development. AI is also used to aid drug discovery in the identification of targets as well as molecular design, virtual screening, and repurposing of drugs, which saves a lot of time and expense. AI has been used to enhance drug development via predictions of pharmacokinetics and toxicity as well as clinical trials optimization. In the pharmaceutical industry, AI can be used to optimize the processes, to monitor the quality and to predictive maintain the machinery to maintain the quality and efficiency of the products and the process. The usage of AI in pharmaceutical care is also important to assist the clinic in clinical decision systems, medication therapy management, prediction of adverse drug reaction, and personalized medicine. Moreover, it enhances medication safety and patient compliance because of its incorporation into both hospital and community pharmacy. Nonetheless, AI can transform the future of pharmacy practice and healthcare delivery despite the difficulties of data privacy and bias in the algorithm, as it has a great potential.

 

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Author Biographies

  • Ramesh K, Thanthai Roever College of Pharmacy

    Department of Pharmacy Practice and Assistant Professor 

  • Kalaivani R, Thanthai Roever College of Pharmacy

    Department of Pharmacy Practice and Associate Professor 

  • Nepolean R, Thanthai Roever College of Pharmacy

    Department of Pharmaceutics and Principal 

  • Thawfiq Rahman M, Thanthai Roever College of Pharmacy

    Department of Pharmacy Practice and Postgraduate student 

  • Suganthan US, Thanthai Roever College of Pharmacy

    Department of Pharmacy Practice and Postgraduate student 

References

1. Mishra, Vijay. “Artificial Intelligence: The Begin-ning of a New Era in Pharmacy Profession.” Asian Journal of Pharmaceutics (2018): n. pag. https://doi.org/10.22377/AJP.V12I02.2317

2. Chinnaiyan, Kumaran et al. “Revolutionizing Healthcare and Drug Discovery: The Impact of Ar-tificial Intelligence on Pharmaceutical Develop-ment.” Current Drug Therapy (2024): n. pag. https://doi.org/10.2174/0115748855313948240711043701

3. Usman, Usman et al. “The role of artificial intelli-gence in pharmacy: Revolutionizing drug devel-opment and beyond.” Journal of Intelligent Medi-cine 2 (2025): 27 - 43. https://doi.org/10.1002/jim4.70003

4. Chalasani, Sri Harsha et al. “Artificial intelligence in the field of pharmacy practice: A literature re-view.” Exploratory research in clinical and social pharmacy vol. 12 100346. 21 Oct. 2023, https://doi.org/10.1016/j.rcsop.2023.100346

5. Amisha, 1,; Malik, Paras1; Pathania, Monika1; Rathaur, Vyas Kumar2. Overview of artificial in-telligence in medicine. Journal of Family Medicine and Primary Care 8(7):p 2328-2331, July 2019. | https://doi.org/10.4103/jfmpc.jfmpc_440_19

6. Jiang, Fei et al. “Artificial intelligence in healthcare: past, present and future.” Stroke and vascular neurology vol. 2,4 230-243. 21 Jun. 2017, https://doi.org/10.1136/svn-2017-000101

7. Sadiku, Matthew N. O. et al. “Artificial Intelligence in Healthcare: An Overview.” International Journal of Engineering Research and Advanced Technolo-gy (2020): n. pag. https://doi.org/10.31695/IJERAT.2020.3670

8. Koyuncu M, Göçer S. Use of Artificial Intelligence in the Healthcare Sector. Lokman Hekim Health Sci 2024;4(3):195–202. https://doi.org/10.14744/lhhs.2024.27920

9. Bhat, Ajmal Rashid and Sumeer Ahmed. “Artificial intelligence (AI) in drug design and discovery: A comprehensive review.” In Silico Research in Bi-omedicine (2025): n. pag. https://doi.org/10.1016/j.insi.2025.100049

10. Faustino, Faustino. “Artificial Intelligence in Drug Discovery: A Review of AI Approaches for Target Identification.” Metaheuristic Optimization Re-view (2025): n. pag. https://doi.org/10.54216/mor.030102

11. Dhoble, Shubhangi D. et al. “From Molecules to Medicines: The Role of Artificial Intelligence in Accelerating Drug Discovery.” International Jour-nal of Advanced Research in Science, Communica-tion and Technology (2025): n. pag.

12. Pawar VK, Patil A, Tamboli F, Gaikwad D, Mali D, Shinde A. Harnessing the Power of AI in Pharma-cokinetics and Pharmacodynamics: A Compre-hensive Review. International Journal of Pharma-ceutical Quality Assurance. 2023;14(2):426-439. https://doi.org/10.25258/ijpqa.14.2.31

13. Kant, S., Deepika & Roy, S. Artificial intelligence in drug discovery and development: transforming challenges into opportunities. Discov. Pharm. Sci. 1, 7 (2025). https://doi.org/10.1007/s44395-025-00007-3

14. Malheiro, V.; Santos, B.; Figueiras, A.; Mascaren-has-Melo, F. The Potential of Artificial Intelligence in Pharmaceutical Innovation: From Drug Discov-ery to Clinical Trials. Pharmaceuticals 2025, 18, 788. https://doi.org/10.3390/ph18060788

15. Honey, Enagandla & Khan, A. (2025). Artificial Intelligence in Drug Discovery & Development. International Journal of Research and Scientific Innovation. 12. 1337-1349. 10.51244/IJRSI.2025.1210000118. https://doi.org/10.51244/ijrsi.2025.1210000118

16. Liebman, Michael. "The Role of Artificial Intelli-gence in Drug Discovery and Development" Chemistry International, vol. 44, no. 1, 2022, pp. 16-19. https://doi.org/10.1515/ci-2022-0105

17. Perron, Quentin et al. “Hed The Role of Artificial Intelligence in Drug Discovery and Development.” (2022).

18. Ocana, Alberto et al. “Integrating artificial intelli-gence in drug discovery and early drug develop-ment: a transformative approach.” Biomarker re-search vol. 13,1 45. 14 Mar. 2025, https://doi.org/10.1186/s40364-025-00758-2

19. Rathore, Anurag Singh et al. “Artificial intelligence and machine learning applications in biopharma-ceutical manufacturing.” Trends in biotechnolo-gy (2022): n. pag. https://doi.org/10.1016/j.tibtech.2022.08.007

20. A Review on Progress and Potential of Machine Learning and AI in Pharmaceutical Development: Review Article”. Journal of Pharma Insights and Research, vol. 3, no. 2, Apr. 2025, pp. 019-30, https://doi.org/10.69613/8pyky553.

21. Kumar, Anil & Sehrawat, Nitu & Sharma, Kaushal & Kumar, Vijay & Sehgal, Megha. (2025). Innova-tions in Pharmaceutical Manufacturing through Edge AI for Process Optimization and Standard Compliance. The Bioscan. 20. 591-596. https://doi.org/10.63001/tbs.2025.v20.i03.pp591-596

22. Huanbutta, Kampanart et al. “The Artificial Intelli-gence-Driven Pharmaceutical Industry: A Para-digm Shift in Drug Discovery, Formulation Devel-opment, Manufacturing, Quality Control, and Post-Market Surveillance.” European journal of phar-maceutical sciences : official journal of the Euro-pean Federation for Pharmaceutical Scienc-es (2024): 106938. https://doi.org/10.1016/j.ejps.2024.106938

23. Kodumuru, R., Sarkar, S., Parepally, V., & Chanda-rana, J. (2025). Artificial Intelligence and Internet of Things Integration in Pharmaceutical Manufac-turing: A Smart Synergy. Pharmaceutics, 17(3), 290. https://doi.org/10.3390/pharmaceutics17030290

24. Sampath, Nivedha. (2025). AI-Driven Pharmaceu-tical Manufacturing: Leveraging Datarobot and GenAI / Agentic AI For Predictive Modeling and Process Optimization. International Journal of Sci-ence and Research (IJSR). 521-525. https://doi.org/10.21275/SR251106170925.

25. Alam, Aftab & Shah, Syed & Rabbani, Syed & El-Tanani, Mohamed. (2025). The Role of Artificial Intelligence in Pharmacy Practice and Patient Care: Innovations and Implications. BioMedInformat-ics. https://doi.org/10.3390/biomedinformatics5040065

26. Chalasani, Sri Harsha et al. “Artificial intelligence in the field of pharmacy practice: A literature re-view.” Exploratory research in clinical and social pharmacy vol. 12 100346. 21 Oct. 2023, https://doi.org/10.1016/j.rcsop.2023.100346

27. Ogbuagu, Oluchukwu Obinna et al. “Artificial intel-ligence in clinical pharmacy: enhancing drug safe-ty, adherence, and patient-centered care.” International Journal of Multidisciplinary Research and Growth Evaluation (2023): n. pag. https://doi.org/10.54660/.ijmrge.2023.4.1-814-822

28. Malheiro, Vera et al. “The Potential of Artificial Intelligence in Pharmaceutical Innovation: From Drug Discovery to Clinical Tri-als.” Pharmaceuticals (Basel, Switzerland) vol. 18,6 788. 25 May. 2025, doi: https://doi.org/10.3390/ph18060788

29. Kishor, Desale Avishkar and Mitesh P. Sonawane. “AI in Patient Care and Personalized Medicine in Pharmaceutical Industries.” Research Journal of Pharmaceutical Dosage Forms and Technolo-gy (2026): n. pag. 10.52711/0975-4377.2026.00013

30. Simpson, Maree Donna & Qasim, Haider. (2025). Clinical and Operational Applications of Artificial Intelligence and Machine Learning in Pharmacy: A Narrative Review of Real-World Applications. Pharmacy. 13. 41. https://doi.org/10.3390/pharmacy13020041.

31. Ibrahim, Inas & Majeed, Ibrahim & Fareed, Yahya. (2024). The Transition towards Artificial Intelli-gence in Healthcare: A Systematic Review of Cases from Community Pharmacies. International Jour-nal of Pharmaceutical and Bio-Medical Science. 04 https://doi.org/10.47191/ijpbms/v4-i12-04

32. Ranchon, Florence et al. “Development of artificial intelligence powered apps and tools for clinical pharmacy services: A systematic re-view.” International journal of medical informat-ics vol. 172 (2023): 104983. doi: https://doi.org/10.1016/j.ijmedinf.2022.104983

33. Ali, Kazi & Mohin, SK & Mondal, Puja & Goswami, Susmita & Ghosh, Soumya & Choudhuri, Sabyasachi. (2024). Influence of artificial intelli-gence in modern pharmaceutical formulation and drug development. Future Journal of Pharmaceuti-cal Sciences. 10. https://doi.org/10.1186/s43094-024-00625-1.

34. Kant, Shashi & Deepika, Dr & Roy, Saheli. (2025). Artificial intelligence in drug discovery and de-velopment: transforming challenges into opportu-nities. Discover Pharmaceutical Sciences. 1. https://doi.org/10.1007/s44395-025-00007-3.

35. Nikita Dethe, Ashwini Nehe, Role of Artificial In-telligence in Pharmacy Practice, Int. J. of Pharm. Sci., 2025, Vol 3, Issue 11, 760-768. https://doi.org/10.5281/zenodo.17534168

36. Suriyaamporn, Phuvamin et al. “The Future trends of Artificial Intelligence and innovative technolo-gies in the new era of pharmaceutical sciences and Industry 4.0.” Drug Development and Industrial Pharmacy 52 (2025): 183 - 196. https://doi.org/10.1080/03639045.2025.2590707

37. Anastasya, Gracia and Miski Aghnia Khairinisa. “The Rise of Artificial Intelligence in Pharmacy: Transforming Medication Management and Pa-tient Care.” Pharmacology and Clinical Pharmacy Research (2024): n. pag. https://doi.org/10.15416/pcpr.v9i2.57699

38. Allam, Hesham. “Prescribing the Future: The Role of Artificial Intelligence in Pharmacy.” Inf. 16 (2025): 131. https://doi.org/10.3390/info16020131

39. Prof.Priyanka, B et al. “Future Directions of AI In Pharma: Innovation in Pharmaceutical Industry.” (2023).

40. Fatima, Mutawaqila Juveria and C. Parthiban. “Ar-tificial Intelligence [AI] -The Game Changer in Pharmaceutical Industry.” Asian Journal of Phar-macy and Technology (2024): n. pag. https://doi.org/10.52711/2231-5713.2024.00061

41. Rammal, Dania & Alomar, Muaed & Palaian, Subish. (2024). AI-Driven pharmacy practice: Un-leashing the revolutionary potential in medication management, pharmacy workflow, and patient care. Pharmacy Practice. 22. 1-11. 10.18549/PharmPract.2024.2.2958. https://doi.org/10.18549/pharmpract.2024.2.2958

42. Ali SMA, Helina N, Kumar SV, Varshini E, Ahmad KMFT, Rajamohamed H. Novel drug repurposing strategy as an alternative therapeutic concept for scrub typhus using computational studies. Journal of Pure and Applied Microbiology. 2024;18(2):1167-1176. DOI: https://doi.org/10.22207/JPAM.18.2.35.

43. Masco M, Shabnam F, Ramesh K, Swathi G, Kalai-vani R. CAR-T Cell Therapy in Pediatric Acute Lymphoblastic Leukemia: From Innovations to Continuing Challenges and Future Perspectives. Journal of Pharmaceutical Research International. 2025;37(11):99-113. DOI: https://doi.org/10.9734/jpri/2025/v37i117769.

44. Kumar R, Rajangam H, Muthaiyah H, Millus C, Viswanathan V, Ramasamy N. A Comprehensive Clinical and Therapeutic Review of Achondropla-sia and Related Skeletal Dysplasias. Medical and Pharmaceutical Journal. 2026;4(4):263-273.

45. Padmavathy J, Ismail Y, Pillai KK, Kumar SV, Ra-man SG, Bhargavi B, Rajkumar R, Saravanan D. Developments in Novel Drug Delivery System of Anti-Inflammatory Agents Isolated from Natural Products: A Review. African Journal of Biomedical Research. 2024;27(4S):4976-4992.DOI: https://doi.org/10.53555/AJBR.v27i4S.4525.

46. Kumar RS, Kumar SV, Lathiff MA, Pachiappan S. Antioxidant and anti-inflammatory activity of leaf extract of Flacourtia jangomas (Lour.) Raeusch: An in-vitro study. Advance Pharmaceutical Journal. 2018;3:169-176.

47. Sudhakar P, Thenmozhi V, Kumar SV. A review on emerging and reemerging viral diseases. Interna-tional Journal of Research in Pharmacy and Phar-maceutical Sciences. 2021;6(1):14-20.

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Published

20-03-2026

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Section

Review Article

How to Cite

Artificial Intelligence in Drug Discovery and Pharmaceutical Care: A Narrative Review. (2026). International Journal of Research in Clinical and Hospital Pharmacy, 7(1), 08-17. https://doi.org/10.33974/my0k6s23

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