#United States #Cambridge #Drug Discovery #Insilico Medicine #Science MMAI Gym

Insilico Medicine Unveils Science MMAI Gym

On January 22, 2026, Insilico Medicine, a prominent AI-focused biotech firm listed on the Hong Kong Stock Exchange (HKEX: 3696), announced its latest innovation: the Science MMAI Gym. This sophisticated training environment aims to convert causal and frontier Large Language Models (LLMs) into advanced tools for tackling complex drug discovery and development challenges.

Enhancing Capability in Drug Discovery

For over a decade, Insilico Medicine has pushed the frontline of AI research, nurturing a portfolio that includes 27 preclinical candidates and over 10 molecules with Investigational New Drug (IND) clearance. The launch of Science MMAI Gym signifies a commitment to harnessing AI in the realm of pharmaceuticals, allowing external partners to engage with their training platform for optimized results.

The gym is tailored specifically for refining the performance of general-purpose LLMs, like GPT and Gemini, enabling them to perform precise reasoning in fields of medicinal chemistry, biology, and clinical development. CEO Alex Zhavoronkov has publicly invited pharmaceutical and biotech enterprises to engage in this transformative experience, emphasizing that the gym provides unique opportunities for collaboration in research and development.

Addressing Performance Gaps in Drug Discovery

Despite the remarkable capabilities of leading LLMs, many fall short in critical drug discovery functions, particularly in predicting pharmacokinetic properties and toxicity endpoints. To remedy this, Insilico Medicine's Science MMAI Gym will offer specialized training protocols that teach these models scientific reasoning relevant to the pharmaceutical industry.

The curriculum encompasses:

• - Medicinal and Organic Chemistry: Focusing on multi-step optimization chains, retrosynthesis, and understanding 3D structure-property relationships.
• - Biology and Target Discovery: Teaching models to reason based on gene expressions, pathways, and comprehensive scoring of targets based on disease mechanisms.
• - Clinical Development: Ensuring that models can accurately interpret trial designs and predict outcomes using customized benchmarks.

A Comprehensive Training Architecture

Central to Insilico's vision of Pharmaceutical Superintelligence (PSI) is a dual-track training system within Science MMAI Gym, comprising Chemical Superintelligence (CSI) and Biology/Clinical Superintelligence (BSI).

Training Components Include:

• - High-Quality Datasets: Utilizing an extensive collection of internal data, including millions of optimization chains and synthesis descriptions to deliver substantial results.
• - Fine-Tuning and Reinforcement Learning: Adopting multi-task supervised fine-tuning and reinforcement learning to enhance the models' reasoning capabilities based on reward structures.
• - Robust Benchmarking Procedures: Each training cycle will be scrutinized against both public and proprietary benchmarks like ClinBench and TargetBench for reliability in real-world applications.

Transitioning from Generalist to Specialist Models

In internal assessments, models trained through Science MMAI Gym showed remarkable improvement. A general-purpose domain model that initially struggled with 70% of medicinal chemistry tasks emerged with superior capabilities, achieving state-of-the-art performance in various ADMET tests. Notably, models engaged in the BSI tracks also illustrated significant enhancement, particularly in predicting Phase 2 trial outcomes on proprietary benchmarks.

Flexible Business Model

The Science MMAI Gym operates on a membership basis, offering partners customized programs ranging from two-week intensive sessions to extensive engagements centered around PSI. Participants can expect their base models to experience up to tenfold performance improvements, accompanied by detailed benchmark evaluations and optional validation through Insilico's automated assay platforms.

About Insilico Medicine

Insilico Medicine is at the cutting edge of drug discovery, dedicated to melding artificial intelligence with innovative technologies to meet unmet medical needs. The company's mission is to push the boundaries of science, not only within pharmaceuticals but also across diverse industries. For more details on their offerings, visit Insilico Medicine's website.

As Insilico Medicine opens the doors to the Science MMAI Gym, the implications for the future of drug development are profound, potentially revolutionizing the way medications are discovered and brought to market.