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XtalPi and Pfizer Expand Strategic Collaboration to Advance AI-Driven Drug Discovery and Materials Science Simulations

XtalPi (2228.HK), a leading global technology company in integrating artificial intelligence (AI) and robotics to advance the discovery of groundbreaking medicine and innovative materials, announced an expansion of its research collaboration with Pfizer to pioneer a next-generation molecular modeling platform for drug discovery. This initiative is focused on improving the accuracy of advanced physics-based methods with the speed, scalability, and expansive coverage of cutting-edge AI models to o

articleXtalpi Holdings LimitedJune 29, 20253/company/quantumpharm-inc/news/xtalpi-and-pfizer-expand-strategic-collaboration-to-advance-ai-driven-drug-discovery-and-materials-science-simulations
XtalPi and Pfizer Expand Strategic Collaboration to Advance AI-Driven Drug Discovery and Materials Science Simulations

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[{"type":"text","content":"CAMBRIDGE, Mass., June 30, 2025 /PRNewswire/ -- XtalPi (2228.HK), a leading global technology company in integrating artificial intelligence (AI) and robotics to advance the discovery of groundbreaking medicine and innovative materials, announced an expansion of its research collaboration with Pfizer to pioneer a next-generation molecular modeling platform for drug discovery. This initiative is focused on improving the accuracy of advanced physics-based methods with the speed, scalability, and expansive coverage of cutting-edge AI models to optimize the discovery and development of small molecule medicines. Building on the success of their existing strategic collaboration, Pfizer and XtalPi will now collaborate on the development of an enhanced platform to grasp Pfizer's rapidly expanding small molecule chemical space, with the goal of delivering accurate predictive tools with significantly improved throughput.","length":933,"tagName":"p"},{"type":"image","alt":"(PRNewsfoto/XtalPi Inc.)","displaySize":"","headline":null,"caption":"(PRNewsfoto/XtalPi Inc.)","className":"","disableSlideshowImg":false,"size":{"original":{"width":400,"height":213,"url":"https://media.zenfs.com/en/prnewswire.com/096d1c8437cb84e2a88b2cfea6eea574"},"resized":{"url":"https://s.yimg.com/ny/api/res/1.2/kulhPIgmoSeVNZI4ag87kQ--/YXBwaWQ9aGlnaGxhbmRlcjt3PTcwNTtoPTM3NTtjZj13ZWJw/https://media.zenfs.com/en/prnewswire.com/096d1c8437cb84e2a88b2cfea6eea574","width":400,"height":213}},"href":"https://mma.prnewswire.com/media/2374018/XtalPi_EN_Logo.html","hrefExternal":true,"rel":"nofollow"},{"type":"text","content":"In a joint research paper published in 2024, XtalPi and Pfizer unveiled the development and validation of the first-generation of XtalPi Force Field (XFF), which demonstrated superior performance in predicting small molecules geometry at molecular quantum mechanics (QM) level, as well as accurate Free Energy Perturbation (FEP) calculations for binding affinity predictions. These capabilities are critical for computing and predicting small molecules' key properties such as efficacy and selectivity, enabling more precise drug screening and rational design.","length":564,"tagName":"p"},{"type":"text","content":"Under this expansion of their collaboration, the two teams will focus on developing more accurate predictive models to Pfizer's p...

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PfizerXtalPiinnovative materialspredictive toolsFree Energy Perturbationpredictive modelsdrug discovery