[SINGAPORE] Imagine a world where life-saving treatments are discovered not in decades, but in just a few years. Nanyang Biologics (NYB.AI), a pioneering spin-off from Nanyang Technological University, is making this vision a reality.
By blending cutting-edge artificial intelligence (AI) with the rich biodiversity of the region, NYB.AI is redefining the boundaries of pharmaceutical innovation. Their proprietary platform, DTIGN (Drug-Target Interaction Graph Neural Network), harnesses the power of graph neural networks and advanced molecular modelling to accelerate the discovery of new therapeutics-unlocking nature’s secrets and bringing hope to millions.
The system is poised to dramatically accelerate the development of new treatments and transform how therapeutics are developed, particularly in South-east Asia.
Run by scientists with real-world drug discovery experience, NYB.AI leverages advanced AI, including a state-of-the-art bioactivity prediction engine, to accelerate the identification of hit molecules and enhance clinical success.
Founder’s experience
The genesis of NYB.AI was a personal one, sparked by the founder’s experience with the limitations of conventional medicine and the potential of traditional remedies. This personal connection fuelled the drive to develop a more efficient and effective approach to drug discovery.
Its proprietary platform, DTIGN, launched in Q4 2024, utilises graph neural networks and molecular docking models to significantly improve drug-target interaction predictions. This technology has already outperformed second-best methods by 25 per cent, as recognised by IEEE Magazine.
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DTIGN’s unique approach integrates signalling pathways, reaction environments, pharmacokinetics and species-specific variations in bioactivity modelling. Unlike typical AI-driven drug discovery, which often focuses on synthetic compounds, DTIGN prioritises nature-derived compounds from organisms in tropical regions, including South-east Asia.
In addition to revolutionising pharmaceutical drug discovery, DTIGN’s capabilities extend to other industries. The platform is now being applied in the consumer health and personal care sectors, supporting companies developing functional foods, dietary supplements, skincare products, and wellness solutions that incorporate nature-derived active ingredients.
DTIGN is also supporting innovation in animal health, including the development of solutions for zoonotic diseases. This cross-industry versatility highlights the broad impact of NYB.AI’s technology and its potential to transform multiple sectors reliant on bioactive compounds.
The company’s AI capabilities offer cost-effective solutions, accelerated molecule discovery and a faster time to market. NYB.AI also leverages a vast collection of billions of natural and synthetic compounds, enhancing its drug discovery process.
DTIGN’s efficiency is underscored by its use of Nvidia H100 GPUs, which have dramatically reduced model training (from 80 to 10 hours) and docking (from 70 to eight hours) runtimes. AI models like AlphaFold, DiffDock and MolMIM further enhance the platform’s predictive capabilities.
NYB.AI has established strategic partnerships with HPE, Nvidia and Equinix for AI infrastructure and go-to-market strategies. The company has also been accepted to present at Nvidia GTC 2025 and has been selected for the Ignition AI Accelerator by NVIDIA and Digital Industry Singapore; and Johnson & Johnson’s JLABS program.
Ethical considerations and sustainability are central to NYB.AI’s operations.
The company collaborates with Nanyang Technological University, which operates the 6,000 square foot research facility on its campus as part of the partnership, ensuring transparency, accountability and patient safety. It focuses on developing affordable treatments for complex diseases, as well as promoting healthcare equity and accessibility.
NYB.AI also supports sustainable harvesting and conservation efforts of plant-derived compounds and integrates energy-efficient AI computing.
The impact of NYB.AI’s technology is significant. The company has reduced compound discovery phase significantly to just 2 to 5 months, improved bioactivity prediction accuracy by 44.83 per cent, and achieved a 64x higher hit-rate efficiency compared to traditional methods.
NYB.AI’s vision is to build the world’s largest Library of Life, a comprehensive repository of natural compounds and their effects on living organisms, including humans. This platform will serve as the foundation for enhancing quality of life by democratizing access to affordable, effective treatments while supporting global biodiversity conservation.
Globally iconic innovation
Its user-centric design and international recognition, including its feature in IEEE Magazine, position DTIGN as a globally iconic innovation.
NYB.AI’s journey is more than a story of technological triumph – it’s a testament to what is possible when empathy, science and sustainability converge.
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