XtalPi has been committed to applying quantum physics, artificial intelligence (AI), cloud computing, and robotic automation technologies to the research and development of drugs and material sciences, driving innovation and development in related fields. Today, XtalPi announced the launch of a new generation drug crystallization R&D platform that integrates the latest AI algorithms and automated experimental technologies ——Xtalgazer™。
This platform utilizes XtalPi's independently developed crystal form prediction technology, crystallization strategy recommendation technology, and automated experimental technology, aiming to overcome the long-standing limitations of reliance on manual trial-and-error in the field of solid-state research and development.Transform "Empirical Design" into a more scientific and precise "Rational Design" in traditional R&D models., propelling the entire industry to new heights.Xtal is derived from "Crystal," while gazer refers to solid-state researchers who gaze into crystal balls to envision future scenarios. Combined, they represent XtalPi's research and development model that uses computational simulation techniques to predict and understand compound properties, crystal structures, and crystallization strategies.XtalPi's new generation of drug crystallization R&D platform, Xtalgazer™, will transform the paradigm of pharmaceutical solid-state research and development.In the field of crystallization research, it is often difficult to balance R&D costs, time, and the quality and comprehensiveness of screening. XtalPi launched its crystal form prediction platform in 2016.（XtalCSP®），Although it can almost perfectly predict all possible crystal forms of a compound, providing very valuable reference for experimental research. However, CSP technology cannot indicate which crystal forms can be actually obtained through experiments and how to obtain them. Meanwhile, once entering the experimental stage, traditional manual experimental methods and sample quantities will limit the efficiency of research and development.The next-generation autoregressive AI algorithm adopted by the Xtalgazer™ platform not only accurately predicts thermodynamically stable crystal structures but also further predicts whether virtual crystals are obtainable and what experimental conditions are most likely to achieve them. This is complemented by a 7×24-hour automated experimental platform.Achieve more comprehensive crystallization research in shorter development cycles using fewer active pharmaceutical ingredients, improving R&D speed and quality while reducing costs and risks. XtalPi Xtalgazer™ Drug Solid Form Research and Development Process● Experimental Design: From Empirical Design Patterns to Rational Design PatternsBefore the experiment begins, Xtalgazer™ can be used throughCrystal Form Prediction（XtalCSP®) Accurately predict the complete landscape of stable crystal forms of compounds. Subsequently, combine molecular and crystal structure information to utilize its uniqueCrystal Strategy RecommendationTechnology, predict the crystallization probability under different experimental conditions, recommend ligands/solvents/crystallization conditions,Transform the traditional screening and trial-and-error approach of solid-state R&D into an intelligent design model.● Experimental Operation: From Manual to AutomationXtalPi's proprietaryAutomated Crystallization Platform, can be achieved through 7×24 Uninterrupted experimental operations for hours significantly improve experimental efficiency, shorten project cycles, make experimental data traceable, and achieve visualization of the experimental process, efficiently completing the goal of customizing solid-state forms.● Solid-State Characterization: From Indirect to DirectXtalPi utilizesMicroED TechnologyRapidly analyze the crystal structures of batch powder samples. Based on the crystal structures, their physicochemical properties can be evaluated and predicted to screen out advantageous polymorphs, supporting polymorph patent layout and significantly accelerating the development process of polymorphic drugs.Senior Vice President of XtalPi and Head of Chemical Services Division
Mr. Dalong Hu, Senior Vice President of XtalPi and Head of Chemical Services DivisionXtalPi is committed to realizing the digital and intelligent revolution in life sciences, and the launch of Xtalgazer™ represents a significant achievement of this revolution in the field of solid-state research. By integrating AI algorithms with automated experiments, Xtalgazer™ introduces a methodological shift and delivers substantial value to drug discovery. Xtalgazer™ further demonstrates the immense potential of digitalization and intelligence in the pharmaceutical research field. XtalPi will continue to implement its innovative concepts within the industry, contributing more results and efforts to the advancement of drug discovery.
Head of Solid-State R&D at XtalPiDr. Guangxu Sun, Head of Solid-State R&D at XtalPi, stated: Guided by the company’s vision and goals, we have always adhered to the principles of innovation leadership and technology-driven progress in our solid-state research. We are committed to applying advanced computational simulation and artificial intelligence methods to the field of solid-state R&D, providing robust support for the small molecule drug discovery industry. In line with this philosophy, we have developed Xtalgazer™, a next-generation drug crystallization R&D platform. The application of new technologies can significantly enhance the speed, efficiency, and comprehensiveness of solid-state research, heralding a new era of intelligent design in crystallization studies. Moving forward, XtalPi will continue to deepen innovation in the field of solid-state research, explore more possibilities, and provide additional technical support and innovative solutions for the small molecule drug discovery industry.
XtalPi is a globally leading technology company that drives innovation through artificial intelligence (AI) and robotics. Founded in 2015 at the Massachusetts Institute of Technology (MIT) in the United States, the company is committed to achieving digital and intelligent transformation in the fields of life sciences and new materials. Leveraging cutting-edge technologies and capabilities such as quantum physics, artificial intelligence, cloud computing, and large-scale robotic experimental systems, XtalPi provides innovative technologies, services, and products to industries worldwide, including biomedicine, chemicals, new energy, and advanced materials.For more information, please visitwww.xtalpi.com。Xtalgazer™ is XtalPi's new generation drug crystallization R&D platformBy combining AI algorithms with automated experiments, crystallization research is shifting from the traditional trial-and-error approach to a data-driven intelligent design model. This can help pharmaceutical companies conduct more comprehensive studies in shorter development cycles while using fewer active pharmaceutical ingredients. For more information, please visitSolid Form Development of Pharmaceuticals - Service Solutions - XtalPi (xtalpi.com)
