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Drug discovery powered

by AI & Automation

Drug discovery powered by AI & Automation

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

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Resources

Discover valuable case studies, publications & more

Case Studies
Development of small molecule selective inhibitors with XFEP
Discovery of Novel Non-covalent GPX4 Potent Hits with XFEP
Discovery of Novel Leads Targeting a Highly Flexible Allosteric Site with XMolGen and XFEP
Extract 1500 structures and activity data within one hour
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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.