- D-Wave and Japan Tobacco’s pharmaceutical division completed a proof-of-concept project aimed at speeding up and improving the design of small molecule pharmaceuticals.
- D-Wave’s annealing quantum computer was used to train large language models within Japan Tobacco’s AI framework.
- The quantum-hybrid application outperformed classical methods in generating valid and drug-like molecules.
- Japan Tobacco plans to further pursue Quantum AI in molecular design following these early results.
D-Wave Quantum Inc. (NYSE: QBTS) (“D-Wave”), a leader in quantum computing systems, software and services, and the pharmaceutical division of Japan Tobacco Inc. (“JT”), have announced the successful completion of a proof-of-concept project applying quantum computing and artificial intelligence (“AI”) to drug discovery. The project demonstrated that a hybrid quantum-classical system outperformed classical methods in generating potential drug compounds (https://ibn.fm/5sTUn).
The project used D-Wave’s annealing quantum computer to enhance the training of large language models (“LLMs”) for chemical structure generation. LLMs, which are foundational to modern generative AI, were integrated into JT’s drug discovery process to explore chemical space and propose novel molecular structures. The hybrid quantum approach produced a higher proportion of valid, drug-like molecules compared to classical-only models.
The generated compounds displayed a higher quantitative estimate of “drug-likeness” than the molecules in the training data or those produced through classical LLM training. This suggests that annealing quantum computing may help optimize low-energy molecular configurations more effectively than conventional computing alone.
The collaboration focused on first-in-class small molecule pharmaceuticals. The use of quantum computing in training the AI models appears to have improved both the diversity and the quality of generated molecular structures, a key objective in early-stage drug development.
Dr. Masaru Tateno, Chief Scientific Officer at JT’s Central Pharmaceutical Research Institute, said the team used D-Wave’s annealing quantum computer to shift the AI-generated compounds toward a more “drug-like” molecular ensemble—without explicitly programming the models to do so. “To the best of our knowledge, this is the first work for annealing quantum computation to outperform classical results concerning LLM training in drug discovery,” Dr. Tateno added. “This validation has also revealed that annealing quantum computing systems can deliver high quality, low energy samples that could drive enhanced performance in generative AI architectures.”
JT has indicated plans to continue developing its capabilities in this area, with the goal of using quantum computing for real-world molecular design applications. “Moving forward, with D-Wave’s quantum annealing machines, we aim to maximize the use of quantum computing hardware characteristics and accelerate our efforts in achieving Quantum AI-driven drug discovery,” Dr. Tateno said.
While generative AI has rapidly progressed in life sciences applications, the computational requirements are growing. As model complexity increases, power consumption and costs become limiting factors, said D-Wave CEO Dr. Alan Baratz, noting that quantum computing may offer a more energy-efficient and scalable way to train these models, potentially enabling broader use of AI in industries like pharmaceuticals.
“We believe that our work with JT is an important demonstration and validation of quantum’s integration with AI. When used together, these powerful technologies can help customers build more efficient, rapid, and energy-saving AI and machine learning workloads,” Dr. Baratz added. “While we are just at the beginning of exploring Quantum AI’s potential impact, in our view, this work is a resounding step forward.”
About D-Wave Quantum Inc.
D-Wave is a leader in the development and delivery of quantum computing systems, software, and services. We are the world’s first commercial supplier of quantum computers, and the only company building both annealing and gate-model quantum computers. Our mission is to help customers realize the value of quantum, today. Our 5,000+ qubit Advantage(TM) quantum computers, the world’s largest, are available on-premises or via the cloud, supported by 99.9% availability and uptime. More than 100 organizations trust D-Wave with their toughest computational challenges. With over 200 million problems submitted to our Advantage and Advantage2(TM) systems to date, our customers apply our technology to address use cases spanning optimization, artificial intelligence, research and more. Learn more about realizing the value of quantum computing today and how we’re shaping the quantum-driven industrial and societal advancements of tomorrow: www.dwavequantum.com.
NOTE TO INVESTORS: The latest news and updates relating to QBTS are available in the company’s newsroom at https://ibn.fm/QBTS
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