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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

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