Application of Artificial Intelligence and Machine Learning in Drug Development for Infectious Diseases
Keywords:
Artificial Intelligence (AI), Machine Learning (ML), Deep Learning (DL), Drug Discovery, Infectious Diseases, Precision Medicine, Antimicrobial ResistanceAbstract
The persistent threat of infectious diseases and the growing challenge of antimicrobial resistance have validated the need for innovative approaches in drug discovery and development. This review explores the transformative role of artificial intelligence (AI), and machine learning (ML), in addressing these challenges across the drug development pipeline for infectious diseases. AI models and ML algorithms excel at integrating and analyzing diverse datasets, including genomic, proteomic, chemical, clinical, and epidemiological data, to accelerate target identification, optimize compound screening, and predict drug efficacy and safety. The review synthesizes recent advances, highlighting the application of supervised and deep learning models in pathogen identification, antimicrobial susceptibility testing, and the rational design of novel therapeutics. It also examines the use of generative AI for precision medicine, drug repurposing, and real-time outbreak prediction. Despite these advances, the review identifies ongoing challenges related to data quality, model interpretability, and ethical considerations. Positively, AI and ML stand as a catalyst for more efficient, cost-effective, and personalized therapeutic strategies, with the promise of significantly improving global public health outcomes.
References
[1] A. Z. Al Meslamani, S. Isidro, and J. and de la Fuente, "Machine learning in infectious diseases: potential applications and limitations," Annals of Medicine, vol. 56, no. 1, p. 2362869, 2024/12/31 2024, doi: 10.1080/07853890.2024.2362869.
[2] A. Cesaro, S. C. Hoffman, P. Das, and C. de la Fuente-Nunez, "Challenges and applications of artificial intelligence in infectious diseases and antimicrobial resistance," npj Antimicrobials and Resistance, vol. 3, no. 1, p. 2, 2025/01/07 2025, doi: 10.1038/s44259-024-00068-x.
[3] T. Gaudelet et al., "Utilizing graph machine learning within drug discovery and development," Briefings in Bioinformatics, vol. 22, no. 6, 2021, doi: 10.1093/bib/bbab159.
[4] D. A. Winkler, "The impact of machine learning on future tuberculosis drug discovery," Expert Opinion on Drug Discovery, vol. 17, no. 9, pp. 925–927, 2022/09/02 2022, doi: 10.1080/17460441.2022.2108785.
[5] H.-Y. R. Chiu et al., "Machine learning for emerging infectious disease field responses," Scientific Reports, vol. 12, no. 1, p. 328, 2022/01/10 2022, doi: 10.1038/s41598-021-03687-w.
[6] D. A. Winkler, "Use of Artificial Intelligence and Machine Learning for Discovery of Drugs for Neglected Tropical Diseases," (in English), Frontiers in Chemistry, Review vol. Volume 9 - 2021, 2021–March–15 2021, doi: 10.3389/fchem.2021.614073.
[7] S. K. Kwofie et al., "Artificial Intelligence, Machine Learning, and Big Data for Ebola Virus Drug Discovery," Pharmaceuticals, vol. 16, no. 3, p. 332, 2023. [Online]. Available: https://www.mdpi.com/1424-8247/16/3/332.
[8] R.-S. Hu, A. E.-L. Hesham, and Q. Zou, "Machine Learning and Its Applications for Protozoal Pathogens and Protozoal Infectious Diseases," (in English), Frontiers in Cellular and Infection Microbiology, Review vol. Volume 12 - 2022, 2022–April–28 2022, doi: 10.3389/fcimb.2022.882995.
[9] N. Peiffer-Smadja et al., "Machine learning for clinical decision support in infectious diseases: a narrative review of current applications," Clinical Microbiology and Infection, vol. 26, no. 5, pp. 584–595, 2020/05/01/ 2020, doi: https://doi.org/10.1016/j.cmi.2019.09.009.
[10] M. G. Hanna et al., "Future of Artificial Intelligence—Machine Learning Trends in Pathology and Medicine," Modern Pathology, vol. 38, no. 4, p. 100705, 2025/04/01/ 2025, doi: https://doi.org/10.1016/j.modpat.2025.100705.
[11] A. Shiwlani, S. Kumar, and H. A. Qureshi, "Leveraging Generative AI for Precision Medicine: Interpreting Immune Biomarker Data from EHRs in Autoimmune and Infectious Diseases," Annals of Human and Social Sciences, vol. 6, no. 1, pp. 244–260, 02/20 2025, doi: 10.35484/ahss.2025(6-I)22.
[12] J. Vaghasiya, M. Khan, and T. Milan Bakhda, "A meta-analysis of AI and machine learning in project management: Optimizing vaccine development for emerging viral threats in biotechnology," International Journal of Medical Informatics, vol. 195, p. 105768, 2025/03/01/ 2025, doi: https://doi.org/10.1016/j.ijmedinf.2024.105768.
[13] P. P. Parvatikar et al., "Artificial intelligence: Machine learning approach for screening large database and drug discovery," Antiviral Research, vol. 220, p. 105740, 2023/12/01/ 2023, doi: https://doi.org/10.1016/j.antiviral.2023.105740.
[14] S. Mishra, R. Kumar, S. K. Tiwari, and P. Ranjan, "Machine learning approaches in the diagnosis of infectious diseases: a review," Bulletin of Electrical Engineering and Informatics, vol. 11, no. 6, pp. 3509–3520, 2022.
[15] N. K. Tran et al., "Evolving Applications of Artificial Intelligence and Machine Learning in Infectious Diseases Testing," Clinical Chemistry, vol. 68, no. 1, pp. 125–133, 2021, doi: 10.1093/clinchem/hvab239.
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