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Fujitsu, RIKEN Research on IT Drug Discovery Technology

Fujitsu is promoting initiatives to advance its concept of "Healthy Living" initiatives under its business brand Fujitsu Uvance, which aims to realize a sustainable future for humanity.

Fujitsu Limited and RIKEN have started working on a joint research project on next-generation IT drug discovery technology utilizing the supercomputer Fugaku, aiming to accelerate DX (digital transformation) in drug discovery, explore promising new areas in this process, and dramatically reduce the development period and costs for new drug development.

Fujitsu RIKEN IT DrugThe joint research project will leverage high-performance computing technologies and the supercomputer Fugaku to accelerate simulation integrated AI that combines Fujitsu’s DeepTwin AI technology, which accurately acquires quantitative features from complex data by unsupervised learning, with molecular dynamics simulation using RIKEN’s AI drug discovery simulation technology.

Seishi Okamoto, Fujitsu Research Fellow, Senior Vice President of Research Unit, Fujitsu Limited commented, “As demand for the rapid development of effective drugs increases, expectations are mounting for the successful introduction of IT drug discovery. At present, however, major challenges persist in the full-scale implementation of IT drug discovery in society, including the time and accuracy of calculations, and limitations surrounding target diseases and drugs. RIKEN and Fujitsu will work together to transform the drug discovery process by truly integrating computing technologies such as the supercomputer Fugaku with leading-edge AI and machine learning technologies.”

Yasushi Okuno, Director of HPC- and AI-driven Drug Development Platform Division, RIKEN Research Center for Computational Science said,”While the importance of AI and DX is being emphasized in various fields, efforts are being made worldwide to accelerate drug discovery research using these digital technologies in the drug discovery field. In this joint research project, Fujitsu and RIKEN will collaborate to develop the world’s best computational technology for drug discovery using the world-class supercomputer Fugaku. We will work to ensure that the result of this joint research is useful to patients around the world who expect new drugs.”

Fujitsu and RIKEN anticipate that this technology will perform analysis of target protein and drug candidate molecule complex and predict large-scale structural changes of molecules with high speed and high accuracy to contribute to the development of middle-molecular drugs and large-molecular drugs, which are expected to have high efficacy and low side effects.

Fujitsu and RIKEN will initiate joint research to explore new areas in the drug discovery process and dramatically reduce the development period and cost by enabling the prediction of unknown complex structures of target proteins and drug candidate molecules through the fusion of the cutting-edge molecular simulation, computing, and both partners’ AI technologies for drug discovery, as well as the supercomputer Fugaku.

Furthermore, Fujitsu is promoting initiatives to advance its concept of “Healthy Living” initiatives under its business brand Fujitsu Uvance, which aims to realize a sustainable future for humanity.

Fujitsu will simultaneously work to create use cases in the drug discovery field to integrate into its Fujitsu Computing as a Service (CaaS) portfolio, a suite of cloud services that makes advanced computing and software technologies readily available to everyone.


Aishwarya Saxena

A book geek, with creative mind, an electronics degree, and zealous for writing.Creativity is the one thing in her opinion which drove her to enter into editing field. Allured towards south Indian cuisine and culture, love to discover new cultures and their customs. Relishes in discovering new music genres.

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