XtalPi Crowned Champion at Global Crystal Structure Prediction Challenge

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XtalPi (HKEX: 2228.HK) has emerged as one of the top two performers among 28 global teams in the 7th CSP Blind Test organized by the Cambridge Crystallographic Data Centre (CCDC). This triennial competition, established in 1999, benchmarks cutting-edge capabilities in crystal structure prediction (CSP) – a field as pivotal for materials science as protein structure prediction is for biologics.

Technical Leadership
Leveraging AI, quantum physics, and automated crystallization systems, XtalPi’s platform addresses the “holy grail” of predicting high-dimensional molecular configurations. “Mastering precise structural prediction unlocks future materials – from life-saving drugs to quantum computing components,” stated Dr. Shuhao Wen, Chairman of XtalPi and MIT physics postdoctoral alumnus.

Industrial Impact
XtalPi’s CSP technology can significantly reduce risk critical drug failures like the 1998 ritonavir crisis. Validated in multiple projects spanning photoelectric molecules and food additives, its platform now serves most top-tier biopharma companies. Recent collaborations with Lilly and Johnson & Johnson demonstrate expanded applications in small/large molecule drug discovery.

References

[1] The seventh blind test of crystal structure prediction: structure ranking methods. Acta Cryst. B., 2024, 80, 6

[2] The seventh blind test of crystal structure prediction: structure generation methods. Acta Cryst. B., 2024, 80, 6

[3] Cocrystal Synthesis through Crystal Structure Prediction. Mol. Pharmaceutics, 2023, 20, 7, 3380-3392

[4] Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction. RSC Adv., 2021, 11, 17408-17412

[5] Effect of Polymer Additives on the Crystal Habit of Metformin HCl. Small Methods, 2023, 7(6):2201692.1-2201692.9.

[6] Tale of Two Polymorphs: Investigating the Structural Differences and Dynamic Relationship between Nirmatrelvir Solid Forms (Paxlovid). Mol. Pharmaceutics, 2024, 21, 8, 3800-3814.

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