Cambridge, mass.,, June 30, 2025 / Prnewswire / – Xtalpi (2228.hk), a worldwide global technology company in the integration of artificial intelligence (AI) and robotics to advance the discovery of revolutionary medicine and innovative materials, announced an expansion of its research collaboration with Pfizer for pioneer a new generation molecular modeling platform for the discovery of drugs. This initiative is focused on improving the precision of advanced methods based on physics with speed, scalability and vast coverage of advanced AI models to optimize the discovery and development of drugs with small molecules. Based on the success of their existing strategic collaboration, Pfizer and Xtalpi will now collaborate in the development of an improved platform to grasp the chemical space with small rapidly expanding molecules of Pfizer, in order to provide precise predictive tools with a significantly improved speed.
In a joint research document published in 2024, XTALPI and PFIZER unveiled the development and validation of the first generation of the Field of Force XTALPI (XFF), which demonstrated higher performance to predict the level of geometry of quantum geometry (QM), calculations of quantum molecular mechanics (FEP). These capacities are essential to calculate and predict the key properties of small molecules such as efficiency and selectivity, allowing more precise drug and rational design.
Under this expansion of their collaboration, the two teams will focus on the development of more precise predictive models in the owner chemical space of Pfizer, in order to further empower the discovery and development of small molecules drugs in a wider range of research applications. In collaboration, Xtalpi will deploy its XFEP platform, from the personalization of parameters to FEP calculations, so that Pfizer can use them in its efforts to discover medication. With the objectives of improved precision, high speed speed and a user-friendly interface, the platform will be designed to support PFizer scientists through various scenarios of medication design and development.
“Pfizer leadership in pharmaceutical innovation and their deep scientific expertise have been invaluable to shape the evolution of our AI platform,” said Dr. Jian Ma, CEO of Xtalpi. “This collaboration demonstrates the potential transformer of the Xtalpi calculation platform combining ideas based on physics with advanced AI technology, and propels us to develop even more powerful predictive tools. Together, we build a new platform for the discovery of drugs, potentially unlock the possibilities that have been absent.”
About Xtalpi
XTALPI Holdings Limited (XTALPI, 2228.HK) was founded in 2015 by three physicists from the Massachusetts Institute of Technology (WITH). It is an innovative R&D platform powered by quantum physics, artificial intelligence and robotics. By integrating the calculations of the first principles, AI algorithms, high performance cloud computing and standardized automation systems, XTALPI provides digital and intelligent R&D solutions for companies in the pharmaceutical sectors, materials, agricultural technology, energy, new chemicals and cosmetic industries.
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Source Xtalpi Inc.





