DP Technology and DeepSyn Launch AI+Click Platform, Achieving De Novo Hit Discovery with Novel Scaffolds in Two Weeks

Recently, at the 2025 World Top Scientists Conference, DP Technology and Deep Synthesis Pharmaceutical R&D (Shanghai) Co., Ltd. (hereinafter referred to as "Deep Synthesis") jointly released AI+Click Discovery Platform for Functional Molecules. The platform innovativelyClick ChemistryWithAIfor Science Modeling SystemDeep integration, constructing an intelligent molecular discovery framework based on synthetically accessible chemical space.FlatPlatformOn four different protein targets,Achieved a complete closed-loop from de novo molecular design, synthesis to experimental validation in just two weeks, obtaining novel scaffold micromolar-level active compounds.。This achievement shortens the discovery cycle of traditional drug lead compounds from months to weeks, significantly improving efficiency.CompletedEfficiency and Reliability of Functional Molecule R&D，Demonstrates a "Synthesizable-Discoverable" Intelligent R&D Model for Functional Molecules。

In the traditional research and development process of functional molecules, researchers typically first design molecules based on desired functions, then attempt synthesis and testing, often encountering“Designable but Difficult to Synthesize”limitations. In the past, although many virtual molecular libraries covered a vast chemical combination space, a large number of molecules were experimentallyLong synthesis cycle, high cost, resulting in a long-standing disconnect between molecular design and experimental validation, which has become a major bottleneck in the molecular discovery process.

DeepSynStarting from chemical feasibility, with click chemistry as the core reaction system, using clean, orthogonal, and high-yield reaction types, and starting from over 16,000 azide compounds and 1,300 alkyne compounds that can be quickly obtained, rapidly constructA chemical space of triazole backbone compounds exceeding 21 million variants that can be rapidly synthesized within one week。

On this basis,DP TechnologyAIfor Science Modeling SystemEmpower the discovery of functional molecules. The system achieves this byPhysical Simulation ComputingWithAI Modeling PredictionDeep integration forms a "physics-driven - AI exploration" bidirectional iterative closed loop: physics simulations generate high-quality data to train AI models, and the AI models in turn explore synthesizable chemical space and screen candidate molecules, thereby achieving mapping from chemical space.Synthesizable"To"Discoverable"The Transformation of ".

Through FusionReliable Click Chemistry SystemWithAIModeling Framework for Science, The AI+Click platform provides aCombining Experimental Certainty with Intelligent ExplorationA New Pathway.

Since its launch in September 2025,AI+Click Functional Molecule Discovery PlatformAlready inFour ProteinsTargetSuccessfully discovered and experimentally validated novel scaffold micromolar-level (IC₅₀ < 10 μM) active molecules from scratch.. In the absence of positive reference molecules with the same backbone, the platform achieves this throughAIfor Science Modeling Prediction and Click Chemistry Rapid Synthesis, only useTwo days for computation, five days for synthesis, and seven days for experimental testing., achieving a complete closed-loop from molecular design to experimental validation. Compared to the traditional process, which usually takes about three months, the AI+Click platform significantly shortens the cycle of functional molecule discovery and validation, greatly enhancing the success rate and efficiency of research and development.

Dr. Zheng Xing, Chief Engineer of Biomedical R&D at DP TechnologySaid: "Relying on the reliable synthesis capabilities of click chemistry, we completed a full iteration from computation to experiment within two weeks, providing an unprecedented demonstration space for AI for Science to form a closed loop from computational discovery to real-world validation."

Deep Potential CEO Fang Nuozhou"The combination of the certainty of click chemistry with the exploratory capabilities of AI for Science models allows chemical space to move from 'synthesizable' to 'explorable,' transforming the discovery of functional molecules from blind probing to data-driven precision exploration, which will reshape the way functional molecules are developed."

In the future, the teams from both sides will continue to expand highly reliable reaction systems, increase the coverage of synthesizable chemical space, and integrate more powerful and diverse AI for Science modeling capabilities.Advance the Discovery of Functional Molecules into a Smarter and More Reliable New Phase。

On October 28, Dr. Linfeng Zhang, founder and chief scientist of DP Technology, will attend the event jointly hosted by Shanghai Future Qidian Community, Shanghai Jiaotong University Click Chemistry Laboratory, and DeepSynth Pharma R&D (Shanghai) Co., Ltd.“2025 Click on the Future Science Ecosystem Conference”At the conference, Dr. Zhang Linfeng was invited to preside.Prof. K. Barry Sharpless, Two-Time Nobel Laureate in ChemistryAndProfessor Ding Kui-ling, Academician of the Chinese Academy of Sciences and President of Shanghai Jiao Tong UniversityThematic Dialogue on "From Simple Rules to Complex Life Systems: Reinventing Molecular Discovery and Creation" and Delivering a Keynote Speech at the Conference《AI For Molecular Design With A Few Good Reactions》, please stay tuned.

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