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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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  • 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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