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Artificial Intelligence in Health                                         New drug discovery in the AI era



            the entire process of finding novel drugs and accelerating   Srivastava
            pre-clinical and clinical developments by combining
            the predictive powers of GenAI with the knowledge and   Ethics approval and consent to participate
            experience of human researchers.                   Not applicable.
            5. Conclusion                                      Consent for publication

            AI, in particular GenAI, is navigating drug hunters in   Not applicable.
            the development of new therapeutics and emerged as a
            proficient alternative tool to the traditional drug discovery   Availability of data
            approach. The  advanced AI/ML/DL  transformative   Not applicable.
            tools are expediting drug discovery by assisting target
            identification, computational chemistry, predicting drug–  References
            target interactions, facilitating  in-silico pharmacology
            analysis, and evaluating off-target toxicity. Based on AI/  1.   Schlander M, Hernandez-Villafuerte K, Cheng CY, Mestre-
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            market sooner than later.
                                                               4.   Dueñas ME, Peltier-Heap RE, Leveridge M, Annan RS, Büttner
            Acknowledgments                                       FH, Trost M. Advances in high‐throughput mass spectrometry
                                                                  in drug discovery. EMBO Mol Med. 2023;15(1):e14850.
            The views, thoughts, and opinions expressed in this article
            are solely of the corresponding author writing in his      doi: 10.15252/emmm.202114850
            individual capacity only and do not reflect the views of the   5.   Komura H, Watanabe R, Mizuguchi K. The trends and
            author’s employer, company, or other associated parties.   future prospective of  in silico models from the viewpoint
            The authors acknowledge the support of Apoorva Kadlag   of  ADME evaluation  in  drug  discovery.  Pharmaceutics.
            for helping with graphic designing and Anuja Bhardwaj for   2023;15(11):2619.
            proofreading the final draft.                         doi: 10.3390/pharmaceutics15112619

            Funding                                            6.   Wang S, Dong G, Shenga C. Structural simplification: An
                                                                  efficient strategy in lead optimization.  Acta Pharm Sin B.
            None.                                                 2019;9(5):880-901.
                                                                  doi: 10.1016/j.apsb.2019.05.004
            Conflict of interest
                                                               7.   Khalil AS, Jaenisch R, Mooney DJ. Engineered tissues and
            Satinder Singh and Pratima Srivastava are employees  in   strategies to overcome challenges in drug development. Adv
            DMPK, Aragen Life Sciences Limited, Hyderabad, India.   Drug Deliv Rev. 2020;158:116-139.
            The other author declares no conflict of interest. The      doi: 10.1016/j.addr.2020.09.012
            authors declare that they have no competing interests.
                                                               8.   Wang L, Hu D, Xu J, Hu J, Wang Y. Complex in vitro model:
            Author contributions                                  A transformative model in drug development and precision
                                                                  medicine. Clin Transl Sci. 2024;17(2):e13695.
            Conceptualization: Satinder Singh
            Data curation: Vyas Shingatgeri, Pratima Srivastava     doi: 10.1111/cts.13695
            Writing–original draft: Satinder Singh             9.   Onakpoya IJ, Heneghan CJ, Aronson JK. Worldwide
            Writing–review & editing: Satinder Singh, Pratima     withdrawal of medicinal products because of adverse drug


            Volume 2 Issue 2 (2025)                         38                               doi: 10.36922/aih.4423
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