ME&WE Pharma Valley | XtalPi: Empowering Drug Innovation with AI and Robotics

"I"We are a world-leading innovative R&D platform based on quantum physics, empowered by artificial intelligence, and driven by robotics." XtalPi wrote in its prospectus.

Reviewing the company's development, Dr. Zhang Peiyu said: "AI-assisted drug discovery is no easy task. Our journey can be summarized as follows:'Luck + Effort'. At present, China's innovative drug industry has moved from the previous era of generic drugs into the era of innovative drugs, and weWe are also fortunate to have caught up with the wave of the fourth industrial revolution driven by AI. Against this backdrop, we have formed a multidisciplinary team integrating 'AI algorithms + robotics + drug research and development,' and have established close collaborations with more globally leading innovative pharmaceutical companies and well-known research institutions at home and abroad, enabling the company to achieve rapid development."

XtalPi Holdings Limited Listed on the Hong Kong Stock Exchange

From the right: Lai Libo, Co-founder/CIO of XtalPi; Wen Shuhao, Co-founder/Chairman; Ma Jian, Co-founder/CEO; Tan Wenkang, CFO.

The entrepreneurial story of XtalPi dates back to 2015. That year, three "post-80s" MIT alumni—Shuhao Wen, Jian Ma, and Lipo Lai—co-founded XtalPi, an innovative technology company driven by artificial intelligence and robotics.

According to Dr. Zhang Peiyu's recollection, the three founders were of similar age and academic background, all aspiring to establish a company driven by fundamental scientific theories, transforming knowledge and theoretical calculations from physics and chemistry into societal applications and specific industrial fields.

Chief Scientific Officer of XtalPi, Dr. Peiyu Zhang

"At that time, I was still conducting basic research at the Dalian Institute of Chemical Physics, Chinese Academy of Sciences. They suggested to me the entrepreneurial direction of 'closely integrating AI with pharmaceuticals,' and I thought it would be highly beneficial to society."value, so we hit it off and joined this start-up team."

After repeated discussions and demonstrations,Drug Crystal PredictionBecoming the first choice for collaboration. XtalPi first made a name for itself in the global crystal structure prediction blind test competition hosted by Pfizer in 2016. With a 100% prediction accuracy rate, XtalPi initiated a strategic partnership with Pfizer and began to make its mark in the field of drug discovery.

Since then, XtalPi has risen rapidly. On the importance of crystal structure prediction, Zhang Peiyu explained:"This is equivalent to providing a map for the development of drug crystal forms, and experimenters only need to 'follow the map.'"

Introduction: Selecting Three Major Business Directions for Long-term Development

For drug research and development, XtalPi has successfully builtID4Inno^TM(Intelligent Discovery for Innovation) Small Molecule Drug Discovery Platform.The platform has two major modules: one is a top-down AI module driven by data, and the other is a bottom-up quantum physics and computational chemistry module built based on intermolecular interactions. "We tightly integrate the two modules to assist researchers in drug development work."

As we all know, data, algorithms, and computing power are the "three key drivers" of AI's rapid development. In the process of drug research and development,Data is a key element"In this aspect, XtalPi has significant advantages: 'We use a large amount of dry experimental data generated through quantum physics and computational chemistry, combined with wet experimental data produced by robots, to build new AI models that predict the activity, drug-likeness, and drug resistance of chemical structures.'"

Over the past 9 years of development, XtalPi has gradually explored and established three major business directions based on its company positioning:XtalPi Manufacturing, XtalPi PharmaAndIntelligent Services, These three directions are closely integrated:

"Last year, after our automated laboratory was released to the public, many pharmaceutical companies, central enterprises, and universities showed great interest. Everyone wanted to upgrade their equipment for automation to embrace intelligent and automated research in line with their respective research directions."NewParadigm. Therefore, 'XtalPi Intelligence' has expanded our R&D capabilities to other industry sectors such as new materials and new energy." He concluded.

In recent years, XtalPi's commercial footprint has continued to expand:

It is not difficult to see that Zhangjiang is an important area for XtalPi's strategic layout.In this regard, Dr. Zhang Peiyu stated directly: "Zhangjiang is the birthplace of new drug research and development in China. At that time, when we considered expanding our business in the Yangtze River Delta, Pudong Zhangjiang was our first choice – we quickly assembled a team for medicinal chemistry, computational science, and antibody research, indicating a strong 'talent agglomeration effect' here. With the talent teams in place, combined with 'AI + robotics', it has effectively supported our operations not only in the Yangtze River Delta but also globally."

Currently, XtalPi's automated laboratories coverMore than 200 automated workstations, covering a total area of approximately 5,000 square meters, have attracted nearly 300 scientists from related fields, making the laboratory a "robot jungle" for biopharmaceutical R&D.

It is reported that the laboratory isManual Material Preparation Operation Area, Intelligent Software Control AreaAndAutomated Laboratory AreaComposed of three parts. The experimental robot can unscrew test tubes by itself, perform operations such as powder weighing, precise material addition, liquid pipetting, and magnetic stirring. After completing the steps at one workstation, the logistics robot responsible for delivering chemical reagents will transport the test tube to the next workstation... and so on in a continuous cycle.

Zhangjiang is a highland for both the biopharmaceutical industry and the artificial intelligence industry.In 2021, the Zhangjiang AI Drug Discovery Alliance (hereinafter referred to as the "Alliance") was established, with XtalPi being one of the founding members. At the 2023 Zhangjiang Life Science International Innovation Summit – “2023 Zhangjiang AI Pharma Forum,” the Alliance underwent a "change of leadership and expansion," and Dr. Ma Jian, co-founder and CEO of XtalPi, was elected as the new Co-Chair.

Dr. Zhang Peiyu commented, "As the founding member and co-chair of the Zhangjiang AI Drug Discovery Alliance, we feel a great sense of responsibility. The alliance brings together key elements and resources required for AI-driven drug discovery, including 'government, industry, academia, research, application, and investment.' We are fortunate to be part of this initiative and hope to accelerate the application of AI in new drug development, promote industrial transformation, and foster high-quality growth in the biopharmaceutical industry."