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Business Times
16-05-2025
- Business
- Business Times
Revolutionising drug discovery with AI in South-east Asia
Founder's experience The genesis of 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. SEE ALSO Sengkang General Hospital leads the way in automating sterile supply management GET BT IN YOUR INBOX DAILY Start and end each day with the latest news stories and analyses delivered straight to your inbox. Sign Up VIEW ALL 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 plant-derived compounds from South-east Asia, unlocking unique therapeutic mechanisms. In addition to revolutionising pharmaceutical drug discovery, DTIGN's capabilities extend to other industries. The platform is being applied to the beauty sector, where plant-based bioactives are used for anti-aging, skin health and rejuvenation products. 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 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. 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. has already secured its first revenue of US$200,000 (S$261,110) from Delightex (Japan Tobacco Inc) and 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 Nvidia Ignition Program and JLABS. Ethical considerations and sustainability are central to operations. The company operates a 6,000 square foot research lab at Nanyang Technological University, ensuring transparency, accountability and patient safety. It focuses on developing affordable treatments for complex diseases, as well as promoting healthcare equity and accessibility. also supports sustainable harvesting and conservation efforts of plant-derived compounds and integrates energy-efficient AI computing. The impact of technology is significant. The company has reduced novel compound discovery timelines from 12 to 15 years to two to five years, improved bioactivity prediction accuracy by 44.83 per cent, and achieved a 64x higher hit-rate efficiency compared to traditional methods. Projected revenue growth from US$2 million to US$10 million between 2025 and 2030 demonstrates the platform's commercial viability. Beyond quantitative impact, aims to enhance the sustainable quality of life by democratising access to affordable, effective treatments and supporting 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. journey is more than a story of technological triumph – it's a testament to what is possible when empathy, science and sustainability converge.
Associated Press
02-04-2025
- Science
- Associated Press
Collaborative Drug Discovery Integrates CDD Vault with NVIDIA BioNeMo NIM For AlphaFold2 and DiffDock Models
BURLINGAME, CA, UNITED STATES, April 2, 2025 / / -- Collaborative Drug Discovery, Inc. (CDD) announces the integration of NVIDIA BioNeMo NIM microservices for AlphaFold2 and DiffDock models into CDD Vault. This integration enriches experimental data within CDD Vault, a single, intuitive web-based platform, by incorporating predictive, industry-leading models. Researchers can manage, analyze, and securely collaborate on the integrated data with enhanced models, unlocking deeper insights and enabling more informed decision-making. Scientists engaged in both commercial and humanitarian drug discovery have demonstrated that the integration with BioNeMo NIM for AlphaFold2 and DiffDock significantly enhances CDD Vault's existing AI module. These models are a powerful addition to CDD's chemistry-aware bioisosteric generation for novel structures (IP) and ultrafast deep-learning similarity capabilities. Chemists and biologists can now combine the best of their intuition with generative capabilities for small molecules visualized together with biological proteins. NVIDIA NIM is a set of easy-to-use microservices designed to accelerate the deployment of generative AI models across the cloud, data center, and workstations. NIM microservices are categorized by model family and on a per-model basis. 'We wanted to give the 690+ research labs that are using CDD Vault effortless access to the powerful BioNeMo NIM tools, enabling them to seamlessly combine over 4 billion experimental data points and 80 million structures with AI-driven insights from these models,' said CDD Cheminformatician and Research Informatics Senior Scientist Dr. Peter Gedeck. Collaborative Drug Discovery empowers CDD Vault users with access to powerful NVIDIA AI tools, BioNeMo NIM for AlphaFold2, a deep learning model that accelerates protein structure determination, and DiffDock, which predicts the 3D orientation and docking interactions of small molecules with proteins. These advanced tools provide a comprehensive structure-based drug discovery (SBDD) extension, enhancing the traditional capabilities of the CDD Vault scientific informatics platform. 'CDD Vault's strength is biological and chemical activity data management,' said Barry Bunin, CEO and Founder of Collaborative Drug Discovery. 'With our ELN (electronic laboratory notebook), Inventory, Curves, Automation, and AI modules, it was natural for us to collaborate with NVIDIA, the leading company for biological modeling. Our customers, some of whom are already using AlphaFold2 and DiffDock, are excited to have access to the NIM for these models, to support seamlessly integrating with CDD Vault, and more quickly move to deployment.' 'The ability to model biology and generate new chemical structures with AI is a profound breakthrough transforming the healthcare and life sciences space,' said Janet Paulsen, Senior Alliance Manager, Drug Discovery, NVIDIA. 'The integration of NVIDIA BioNeMo NIM microservices into CDD's Vault platform equips researchers on the forefront of this innovation with the advanced AI tools needed to harness data that can unlock biological insights.' About Collaborative Drug Discovery (CDD) CDD's ( flagship product, CDD Vault®, is a premier hosted database solution for the secure management and sharing of biological and chemical research data. CDD Vault® provides tools for managing chemical and biological registrations, structure-activity relationships (SAR), and organizing experiments. The platform's available modules include Registration, Activity, Visualization, Assays, ELN, Inventory, Curves, AI, and Automation. Abraham Wang +1 650 242 5259 Legal Disclaimer:
