Insilico Medicine Integrates Nach01 Foundation Model with Microsoft Discovery to Enable AI-Native, Enterprise-Ready Drug Discovery Workflows

Cambridge, Massachusetts, January 14, 2025 - Insilico Medicine (“Insilico”, HKEX:03696), a clinical-stage biotechnology company driven by generative artificial intelligence (AI), today announced the demonstration of its Nach01 multimodal foundation model deployed on Microsoft Discovery, Microsoft’s science-focused platform designed to accelerate research and development through agentic AI. This collaboration highlights Microsoft Discovery’s extensibility with third-party AI models and illustrates how R&D organizations can adopt unified, AI-native workflows for computational drug discovery. By orchestrating secure, multi-step investigations within a Microsoft Azure-native environment, the demonstration underscores key benefits—including enhanced transparency, improved reproducibility, and scalable deployment—empowering scientific teams to streamline and advance discovery processes with great assurance.

Drug discovery organizations increasingly rely on computational approaches to support hypothesis generation, molecular design, and multidimensional data analysis, but these efforts are often executed in disconnected environments that make it difficult to iterate quickly or reproduce results across teams. In the future, customers deploying Insilico’s Nach01 on the Microsoft Discovery platform will be able to orchestrate its performance as part of multi-step workflows. This will enable scientists and engineers to design end-to-end pipelines that integrate molecule generation, property prediction, and downstream analysis within a secure Azure environment.

Nach01 is a multimodal foundation model developed by Insilico Medicine and a part of the Pharma.AI platform, used for accelerating drug discovery. It leverages a large language model architecture to process both chemical structural and spatial data and was built to handle hundreds of diverse tasks in molecular design and prediction. Nach01 combines techniques from its predecessor, Nach0 available on Huggingface, including textual and 3D spatial representation learning, into a single model that can address retrosynthesis, molecular property prediction, and other complex chemistry challenges. Nach01 can support workflows across the drug discovery pipeline, from target-related research and hit generation to lead optimization, by generating and evaluating novel molecular structures, performing predictive analytics such as ADMET-related property estimation, and prioritizing candidates for further experimental validation. Insilico will publish Nach01 model to Microsoft Marketplace.

With Nach01 deployed on Microsoft Discovery, teams can register Nach01 within the platform and compose AI-driven pipelines that connect Nach01 to other computational tools, allowing them to execute workflows on demand. For example, workflows can be configured end-to-end, starting with a structure-based design step (using Nach01 to propose molecules for a given biological target), followed by an ADMET prediction step, and then passing results into additional scoring tools (e.g., QSAR models or Free-Energy calculations) and downstream analysis/visualization, configured within a single workflow. This approach can help bridge the gap between AI modeling and day-to-day discovery execution by turning what previously required manually stitched scripts for molecule generation, property prediction, and analysis into a managed and repeatable workflow that teams can share and refine.

“Insilico is building purpose-built, multimodal foundation models that can be deployed in the real world where governance, reproducibility, and scale are essential,” said Alex Zhavoronkov, PhD, Founder and CEO of Insilico Medicine. “Deploying Nach01 with Microsoft Discovery helps bring chemistry superintelligence into a unified, secure environment so teams can iterate faster and run end-to-end computational discovery workflows with greater confidence.”

The collaboration aligns with Insilico’s broader strategy of integrating AI model innovation with drug development execution through its end-to-end technology stack and validated infrastructure. Insilico continues to advance its platform and pipeline across multiple therapeutic areas, while also enabling partners to adopt AI-native discovery capabilities through scalable software and model offerings. By deploying Insilico’s multimodal chemistry foundation model on Microsoft Discovery, customers can use its orchestration capabilities to accelerate iteration cycles and enable teams to transition from scientific insight to experimentally testable candidates more efficiently.

“At Microsoft, we’re driven by a mission to empower every organization to achieve more—and our collaboration with Insilico is a powerful testament to that mission in action. By bringing Insilico’s Nach01 foundation model into Microsoft Discovery, we’re giving research teams the ability to tap into advanced AI within a unified, secure, and scalable environment. Together, we’re showing how agentic AI and orchestrated intelligence can transform scientific insight into real‑world breakthroughs, accelerating the development of life‑changing therapies with unprecedented speed, precision, and confidence.” Aseem Datar, Corporate Vice President, Product Innovation, Microsoft Discovery and Quantum.

By integrating advanced AI and automation technologies, Insilico has significantly improved the efficiency of early-stage drug development in real-world practices, setting a benchmark for AI-driven drug discovery. Whereas traditional early-stage drug discovery typically requires 2.5 to 4 years, more than 20+ of Insilico’s internal programs initiated between 2021 and 2024 achieved PCC nomination in just 12 to 18 months on average, with only about 60–200 molecules synthesized and tested per program.

About Insilico Medicine

Insilico Medicine is a pioneering global biotechnology company dedicated to integrating artificial intelligence and automation technologies to accelerate drug discovery, drive innovation in the life sciences, and extend health longevity to people on the planet. The company was listed on the Main Board of the Hong Kong Stock Exchange on December 30, 2025, under the stock code 03696.HK.

By integrating AI and automation technologies and deep in-house drug discovery capabilities, Insilico is delivering innovative drug solutions for unmet needs, including fibrosis, oncology, immunology, pain, obesity and metabolic disorders. Additionally, Insilico extends the reach of Pharma.AI across diverse industries, including advanced materials, agriculture, nutritional products, and veterinary medicine. For more information, please visitwww.insilico.com