Since 2020, the inaugural year of the AI-driven drug discovery boom in China, three years have passed. During this period, humanity has not only witnessed the speed of AI but also continuously advanced its evolution.
Infinitus PharmaceuticalsFounderPei JianfengDr. [Name] introduced to Chengguo Bureau the company’s recently updated platform, PharmaMind V3.8. Notably, in the PharmaMind V3.8 version, the platform has successfully integrated a drug design-oriented ChatGPT tool—co-developed by Inpharmatica and Peking University—named “PharmGPT", in China's pharmaceutical sectorThe First GPT System。

Figure shows PharmGPT; image provided by the interviewee
What sets Yingfei Zhiyao apart from other AI-driven drug discovery companies is its reliance on the PharmaMind V3.8 platform, which stabilizes the drug development success rate atMore than 20%“This success rate is a global leader, and it is also the core and proudest aspect of InnoPharm,” said Pei Jianfeng.
An Idea for Implementing AI in Drug Discovery
Infinita Pharma officially commenced operations in June 2019. It was also during these two years that China witnessed a wave of entrepreneurship among scientists and in hard technology.
On the one hand, guided and supported by national policies, the macro environment for scientist-led startups is favorable; on the other hand, with the disappearance of traffic dividends in the mobile internet era, growth driven by traditional model innovation has become increasingly constrained. Against the backdrop of industrial transformation and upgrading, people have identified opportunities in the technology sector, particularly in the field of life sciences.
“China’s basic scientific research is catching up with the world’s most advanced levels, but inThere is still a significant gap in the practical implementation of applications compared to the world’s most advanced levels.“I also recognize that only by truly implementing innovative technologies can we create greater value for society. Given this perspective, I believe our years of research achievements and innovative technologies are well-suited for such translation and implementation,” said Pei Jianfeng.
Leveraging over 25 years of accumulated expertise in “CADD + AIDD,” this R&D team—one of the earliest in China to specialize in the intersection of “AI + drug design”—has presented its own solutions to the market, thereby endowing Infinitus Pharma with greater significance.
“Yingfei Zhiyao”Infinite, meaning “endless,” also embodies the team’s hope that their AI platform will continuously generate innovative drugs. To realize this aspiration, the key lies in successfully implementing AI-driven drug discovery.
“Although AI-driven drug discovery has made significant progress, it has not yet reached a level of truly reliable application. Since its inception, the team at Yingfei Zhiyao has been committed to the systematic implementation of AI in drug development, focusing on advancing drug design technologies for real-world applications—with the aim of”Enhancing the Success Rate of AI-Driven Drug Discovery to a Stable and Practical Level.” said Pei Jianfeng.
With DeepMind’s AlphaFold2 achieving a major breakthrough in protein folding, AI has gained the potential to become a transformative force in the pharmaceutical industry. Although this “myth” is still evolving, capital markets have already elevated it to near-deity status, fiercely chasing algorithms and computing power while overlooking the fundamental question of how AI-driven drug discovery can be practically implemented. Consequently, as signs emerge that the capital bubble is beginning to deflate, AI-based drug development has entered a transitional phase where it must prove its technical merits. As an integral part of the innovative drug ecosystem, the ultimate testament to the robustness of AI technology lies in its R&D outcomes.
From PharmaMind V1.0 to PharmaMind V3.8
Since the completion of the internal beta versions of PharmaMind V1.0 and V2.0 in October 2020, Infinitus Pharmaceuticals has begun to lay out its self-developed and collaborative new drug pipelines. To date, the majority of initiatives undertaken by Infinitus Pharmaceuticals have beenFirst-in-Class Drug Pipeline, the most advanced pipeline has shown promising results in animal studies and is being advanced toward candidate drug selection.
From Pei Jianfeng’s perspective, innovative drug development is a highly complex process. While many believe that AI-driven drug discovery simply involves applying artificial intelligence to new drug R&D, the interdisciplinary integration actually gives rise to numerous new scientific questions and technical challenges. The key to the practical implementation of AI in drug discovery lies in solving these core, hard-tech problems. An AI-driven drug discovery platform must be capable of consistently generating molecular structures that yield experimental results meeting expectations.
Through more than three years of dedicated efforts, Infinitus Pharma has achieved an average success rate of one highly potent and druggable molecule for every five designed, both in terms of statistical outcomes from existing drug data and in the practical significance of pipeline R&D.Success Rate Reaches 20%, which is highly conducive to the practical implementation of AI in drug discovery.
Furthermore, in terms of the enrichment factor at 1% (EF1%) for AI-based virtual screening, Infinitus Pharma’s actual screening enrichment rates frequently reach 100 or higher, far exceeding the industry’s typical range of 10–20.
In February 2023, in its fourth year of development, Yifei Zhiyao upgraded PharmaMind to version V3.8 and released the latest tool module, PharmGPT. This is a class of GPT-based molecular generation models constrained by coarse-grained pharmacophores.
To further enhance the success rate of drug development, PharmGPT employs autoregressive learning to model the correlations between millions of bioactive small molecules and their pharmacophores, enabling researchers to explore novel compounds with synthetic accessibility that maintain pharmacophore consistency.
Meanwhile, PharmGPT is also capable of reproducing the structural optimization processes of multiple existing clinical drug molecules, leveraging AI design tools to assist researchers in retrospective molecular design and evaluation, thereby fully demonstrating the efficacy of molecular design.
Currently, Yingfei Pharma has prospectively applied its target structure-based molecular generation modules, MolBuilder and PharmGPT, across multiple internal pipeline projects, yielding a series of first-in-class compound structures with high potency.
“Reviewing InnoX Therapeutics’ R&D pipeline, we found that the majority were designed and tested only for72 itemsThe molecule has already met the primary design endpoint, whereas typical pipelines often only require design-stage testing.Approximately 50“...the molecule can achieve the design objectives,” said Pei Jianfeng.
After Laying a Solid Foundation
AI-Assisted Drug Design Has Ushered in a New Era, Undoubtedly Accelerating Drug R&D While Reducing Costs and Enhancing Efficiency. From AlphaFold2 to the Emergence of ChatGPT, People Are Not Only Awed by the Rapid Advancements in AI Technology but Also Coming to Accept That AI Can Truly Aid Drug Development.
In 2023, Infinitus Pharma began to establishBD (Business Development) Team“Previously, we believed that if the foundation was not solid enough, we could not become a true AI-driven pharmaceutical company,” Pei Jianfeng stated. From the perspective of corporate development, the InnoPharma team has been continuously refining and updating the PharmaMind platform from 2019 to 2022.
“Our platform’s design success rate has now far surpassed the levels we achieved during our academic research, reaching a world-leading standard and initially realizing the goal of industrial implementation,” said Pei Jianfeng.
Moving forward, Infinitus Pharma’s key focus will be to further advance the practical implementation of AI in drug discovery. On one hand, it will formally establish a business development team to proactively seek collaboration opportunities and deliver tangible value to the pharmaceutical industry; on the other hand,Accelerate the Progress of Representative Proprietary Pipelines, demonstrating the advantages of its AI technology.
Moreover, Infinitus Pharma is also recruiting international talent to build China’s AI drug discovery brand.Setting SailLay the groundwork.