Pharmaceutical Discovery and Preclinical Development1

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  • 1.  AI and ML in drug discovery

    Community Leadership
    Posted 05-18-2024 14:16

    Dear all,

    I recently came across some interesting articles on AI in drug discovery that could spark valuable discussions on how scientists are leveraging AI and machine learning in this field. 

    The first article provides a comprehensive overview of AI and automated drug discovery, while the second article raises important questions about the quality of data used in AI and ML processes. Both articles are open-access but feel free to contact me if you need PDF copies.

    Best regards, Sudip

    •    Qureshi, Rizwan, et al. "AI in drug discovery and its clinical relevance." Heliyon (2023).
    •    Kelm, Jens M., et al. "Data standards in drug discovery: a long way to go." Drug Discovery Today (2024): 103879.



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    Sudip Das, MPharm, PhD
    Distinguished Faculty, Butler University
    Professor of Pharmaceutics & Drug Delivery
    4600 Sunset Avenue, Indianapolis, IN 46208-3485
    E-mail: [email protected]
    Webpage: https://research.butler.edu/nanomedicine/
    LinkedIn: http://www.linkedin.com/in/sudipkdas
    Disclaimer: Opinions expressed are solely my own and do not express the views or opinions of my employer.
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  • 2.  RE: AI and ML in drug discovery

    Community Leadership
    Posted 05-20-2024 11:05

    Thank you for sharing Sudip! Definitely a hot topic in drug development that will not be going away anytime soon. For undergrad/grad students working towards a career in drug discovery/design, I definitely recommend exploring opportunities to learn more about AI and how it will continue to impact drug development and discovery.



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    Bo Tokarski Ph.D.
    Manager, Analytical Chemistry
    Charles River Laboratories Ashland LLC
    Ashland OH
    [email protected]

    Disclaimer: Opinions expressed are solely my own and do not express the views or opinions of my employer.
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    Original Message


  • 3.  RE: AI and ML in drug discovery

    Posted 05-21-2024 07:44
    Hello, I wanted to let everyone know that we are hosting a free workshop on AI in drug discovery (biologics) in June, in Providence. The workshop is co-organized by faculty from Brown University, University of Rhode Island, Lifespan and EpiVax. Speakers include Chris Langmead of Amgen, Brandon Dekosky of Broad Institute, and Justin Bahl of University of Georgia. Please see this website for more information and registration: 


    There is no cost for participation. (an this is an in-person workshop). 
    The Artificial Intelligence / Human Intelligence & Immunoinformatics Workshop aims to facilitate discussions and knowledge sharing among users of bioinformatics and immunoinformatics tools. Speakers will describe tools used for the exploration of immune responses and provide case studies featuring applications to biologic drugs and vaccines.
    epivax.com


    Founder and CSO, EpiVax 




    Original Message