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    Drug discovery powered

    by AI & Automation

    Drug discovery powered by AI & Automation

    • Our mission is to democratize access to data-driven discovery tools to accelerate the molecular R&D process.
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    • We leverage AI, physics-based modeling, and advanced robotics to drive rapid discovery of impactful therapeutics by creating tools to solve the most challenging discovery problems
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    Solutions

    Driving drug discovery forward

    Our diverse range of solutions are fully customizable for the needs of your drug discovery and development projects.

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    Our approach

    Cutting-edge approaches to scientific innovation

    Digital chemistry

    Explore how our digital chemistry platform allows discovery scientists to extract patent data, explore novel chemical space, and quickly identify promising drug candidates.

    Explore how our digital chemistry platform allows discovery scientists to extract patent data, explore novel chemical space, and quickly identify promising drug candidates.

    Drug discovery

    Learn how the XtalPi team leads partners through the drug discovery journey from target to PCC with the latest in AI and Automation.

    Learn how the XtalPi team leads partners through the drug discovery journey from target to preclinical candidates
    with AI and Automation.

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    Technology

    Transforming the future of science

    Hybrid AI + QM Discovery Engine

    XtalPi is an AI drug discovery company leveraging artificial intelligence (AI), quantum physics, and robotics to accelerate pharmaceutical research.

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    Resources

    Discover valuable case studies, publications & more

    Case Studies
    • Publications, Solid State Research

    Templated Nucleation of Clotrimazole and Ketoprofen on Polymer Substrates
    • Publications, Solid State Research

    Tale of Two Polymorphs: Investigating the Structural Differences and Dynamic Relationship between Nirmatrelvir Solid Forms (Paxlovid)
    • Publications, Solid State Research

    Cocrystal Synthesis through Crystal Structure Prediction
    • Publications, Solid State Research, Solid State Research

    Effect of Polymer Additives on the Crystal Habit of Metformin HCl
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    Partners

    We partner with some of the top pharmaceutical companies in the world to transform, accelerate, and de-risk their drug discovery campaigns

    Your next success starts here

    XtalPi is an innovative research platform company powered by artificial intelligence (AI) and robotics. 

    Search XtalPi

    • Publications, Solid State Research

    Templated Nucleation of Clotrimazole and Ketoprofen on Polymer Substrates
    • Publications, Solid State Research

    Tale of Two Polymorphs: Investigating the Structural Differences and Dynamic Relationship between Nirmatrelvir Solid Forms (Paxlovid)
    • Publications, Solid State Research

    Cocrystal Synthesis through Crystal Structure Prediction

    XtalPi Newsletter