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XtalPi
Empowering Research with AI & Automation

Explore our services
Software
Drug discovery
Discovery chemistry
Solid state research
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Software

Transforming research with intelligent software solutions

PatSight
Patent extraction tool
XFEP
High accuracy free Energy calculation tool
XMolGen
Generative chemistry tool
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Drug Discovery

Advanced drug discovery for precision results

Hit Discovery
Multi-pronged approach to identify top-tier hits
Hit or Lead optimization
Discover better pre-clinical candidates with XtalPi AI & Robotics
Biology capabilities
Robust Biology Capabilities to Accelerate Drug Discovery
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Discovery Chemistry

Elevating chemistry with automated synthesis & libraries

Automation-aided chemical synthesis
Chemical Synthesis Augmented by Automation
Focused library
Speed & precision in automated, data-driven library synthesis
Building blocks
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Solid State Research

Precision tools for solid state research and analysis

XtalGazer
A total solution for solid state study
Experimental solid-state R&D
Experimental solid-state R&D for the future of drug development
Solid-State Chemistry Computational Solutions
Crystal structure prediction empowering solid-state chemistry solutions
Crystal Structure Determination
Crystal structure determination with SCXRD & MicroED

XtalPi uses AI, quantum physics, and automation to speed up drug discovery and materials research. They provide integrated solutions to streamline R&D processes, reducing time and waste in developing new therapies.

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Search XtalPi

  • Video Library
Unlock Faster, More Accurate Drug Discovery with XFEP
  • 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)
  • Software
PatSight Patent Extraction tool
XFEP High Accuracy Free Energy Calculation Tool
XMolGen Generative Chemistry Tool
  • Drug Discovery
Hit Discovery
Hit or Lead Optimization
Biology Capabilities
  • Discovery Chemistry
Automation-aided Chemical Synthesis
Focused Library
Building Blocks
  • Solid State Research
XtalGazer™Solid State Research Solution
Experimental Solid-State R&D
Solid-State Chemistry Computational Solutions
Crystal Structure Determination
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