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Shionogi: Quantum-assisted AI for drug discovery and NEDO award

Business Wire (via Jiji Press) USA
Overview
Shionogi has won first place in the Quality of Life category of the NEDO Challenge for integrating D-Wave’s annealing quantum computing into a generative AI model for molecular design. The quantum-assisted model achieved a 97% chemical validity rate for generated molecular representations, significantly outperforming classical models. This research demonstrates the potential for quantum computing to increase the efficiency of early-stage drug candidate identification.
In Depth

Key Findings

Shionogi has been awarded a ¥40 million prize by the New Energy and Industrial Technology Development Organization (NEDO) for its research in quantum-assisted drug discovery. The primary achievement recognized is a study published in Scientific Reports in July 2026, which integrated D-Wave’s annealing quantum computing technology into a generative AI model designed for molecular design.

Technical Details

The research compared the performance of a quantum-assisted generative AI model against an equivalent classical model. The results showed a marked improvement in the quality of molecular representations:

  • Chemical Validity: 97% of molecules generated by the quantum-assisted model were chemically valid, compared to 73% from the classical model.
  • Drug-likeness: The quantum-assisted model produced a higher proportion of molecules with strong drug-likeness scores, exceeding both the training dataset and the classical model.

The methodology combines D-Wave quantum computing with classical high-performance computing (HPC) to generate and evaluate potential drug candidate molecules.

Background & Context

The NEDO Challenge, titled “Solve Social Issues!”, is an initiative by Japan’s national R&D organization under the Ministry of Economy, Trade and Industry to recognize quantum computing applications that address industrial and social challenges. D-Wave Quantum Inc., the provider of the annealing technology used by Shionogi, is a dual-platform company offering both annealing and gate-model quantum systems.

Significance & Outlook

The ¥40 million prize will support Shionogi’s ongoing research into designing promising new drug candidate molecules, one of the most complex challenges in the pharmaceutical industry. By improving the quality of generative AI outputs, this approach aims to identify more promising molecules earlier in the discovery process, potentially accelerating the development of new medicines and improving patient outcomes.

Source: https://jen.jiji.com/jc/eng_bw?k=20261028058314

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