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Artificial intelligence and machine learning in the development of vaccines and immunotherapeutics—yesterday, today, and tomorrow

Elhoucine Elfatimi, Yassir Lekbach, Swayam Prakash, Lbachir BenMohamed · Frontiers in Artificial Intelligence · 2025

The development of vaccines and immunotherapies against infectious diseases and cancers has been one of the significant achievements of medical science in the last century. Subunit vaccines offer key advantages over whole-inactivated or attenuated-pathogen-based vaccines, as they elicit more specific B-and T-cell responses with improved safety, immunogenicity, and protective efficacy. However, developing subunit vaccines is often cost-and time-consuming. In the past, the development of vaccines and immunotherapeutics relied heavily on trial-and-error experimentation, as well as extensive and costly in vivo testing, which typically required years of pre-clinical and clinical trials. Today, artificial intelligence (AI) and deep learning (DL) are actively transforming vaccine and immunotherapeutic research by (i) offering predictive frameworks that support rapid, data-driven decision-making, (ii) integrating computational models, systems vaccinology, and multi-omics data (iii) helping to better phenotype, differentiate, and classify patients diseases and cancers; (iv), integrating host characteristics for tailored vaccines and immunotherapeutics; (v) refining the selection of B-and T-

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