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Press Release

NEDO Develops Artificial Intelligence (AI) That Can Predict the Yield of Catalytic Reactions

– Expected to shorten the development period for new catalysts –
January  31,2018
New Energy and Industrial Technology Development Organization (NEDO)

As part of a NEDO project, the National Institute of Advanced Industrial Science and Technology (AIST) has been developing a new design technique with artificial intelligence (AI) which can predict the yield of catalytic reactions for utilizing in organic synthesis.

The AI was designed using calculated simulation data for catalyst structures as well as the experimental yields of actual reactions. The result was a leading effort to develop an AI that can automatically discover novel catalysts in order to shorten the development period for catalysts that are used in producing functional materials and medicines.

The result of this research was published today in the academic journal Chemistry LettersChem. Lett. 2018, 47, 284. DOI: 10.1246/cl.171130), issued by the Chemical Society of Japan. Additionally, the research result will be showcased during a Main Theater seminar (February 16, 3pm-4:45pm) at "nano tech 2018," at Tokyo Big Site from February 14 to 16.

For more information, please contact:

NEDO Materials Technology and Nanotechnology Department
Contact Persons: Sugawara, Okamoto, Tai Tel: +81-44-520-5220­