Synthetic Gestalt Co., Ltd.
Enamine and SyntheticGestalt collaborate to create AI-based models to accelerate drug discovery
~ Developing the world’s largest pre-learning model based on the 3D structure of compounds ~
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SyntheticGestalt uses the 38 billion compounds in the Enamine REAL database as a training dataset to develop pre-learning models and generative AI models to discover synthetically possible drug-like candidate compounds.
[Image: https://prtimes.jp/i/123750/4/resize/d123750-4-558f7e4c10f0d5753cea-0.jpg&s3=123750-4-140467430f0f9a8f3ee76ef9672af9b7-1664×1216.jpg] Tokyo (Japan), Kyiv (Ukraine) – January 11, 2024
SyntheticGestalt Co., Ltd. (Tokyo, Japan; Representative Director and CEO Yukiteru Shimada) is a research and development company
specializing in AI development in the life sciences field, and a global provider of building block compounds, screening compounds, and integrated drug discovery services. Enamine Ltd (Kiv, Ukraine, CEO Andrey Tolmachov) announces the start of a collaboration to develop a series of AI models to enable AI drug discovery. This model makes it possible to propose biologically active compounds that are easy to synthesize while optimizing physical and chemical properties and ADME/Tox properties. It is planned to be used for the company’s services as well as its research and development activities. Enamine provides access to the Enamine REAL database, the largest on-demand compound database and contains 38 billion compounds. SyntheticGestalt adds the Enamine REAL database to its Drug Discovery service. This web service not only predicts the physical and chemical properties and ADME/Tox properties of input compounds, but also has the ability to immediately suggest improvements from within the database for compounds with problems. Enamine synthesizes proposed compounds within just 3-4 weeks and provides high-quality
pharmacological in vitro profiling data through in-house testing, helping to streamline and shorten drug discovery cycles.
Additionally, SyntheticGestalt will utilize data provided by Enamine to power the company’s pre-trained models. The model is expected to be the world’s largest based on the 3D structure of compounds, and will be used to improve the predictive accuracy of the company’s machine learning models. We also plan to propose this model to other pharmaceutical companies for joint research. Details and performance of this model will be announced at NVIDIA’s annual event “NVIDIA GTC Japan AI Day” to be held in March 2024.
Iaroslava Kos, Director of Business Development at Enamine, said: “The potential of computer-aided design powered by AI/ML for new drug discovery cannot be underestimated. It’s great to discover new active compounds through the synthesis of just a handful of novel
compounds.We are excited to start a collaboration with
SyntheticGestalt and combine the talents of our scientists to realize our mutual goals. We are pleased to offer our expertise and look forward to working together towards a long-held dream of a cure.” Comment from Yukiteru Shimada, CEO of Synthetic Gestalt: “The application of machine learning in drug discovery research has long been plagued by the problem of high performance on training data, but low performance in actual usage situations. Solving problems requires developing large-scale, pre-trained models powered by real-world data. The Enamine REAL database is the largest and most trusted set of on-demand compounds on the market. Perfect for our efforts. Just as large-scale pre-training revolutionized large-scale language models (LLMs), we are using the world’s largest in-house pre-trained model to make a huge leap forward in AI drug discovery. I believe we can make it possible.”
that’s all
About Synthetic Gestalt
SyntheticGestalt is an artificial intelligence research and
development company specializing in the application of AI to life science fields including drug discovery. We conduct research and development focused on discovering useful substances by utilizing our uniquely developed artificial intelligence technology. The AI platform used in this research has a cloud-based, scalable structure and can make predictions against large libraries, so Prediction is possible. SyntheticGestalt welcomes open innovation through
collaborative research with public institutions and private companies. For more information, please visit: https://syntheticgestalt.com About SyntheticGestalt drug discovery service
SyntheticGestalt provides a web service that proposes solutions to ADME/Tox and physicochemical characterization problems of Hit ~ Lead compounds based on proprietary machine learning models.
You can try this service using the link below:
https://drugdiscovery.syntheticgestalt.com/
About Enamine
Enamine is a science-driven, integrated drug discovery contract research organization with unique collaboration opportunities in exploring new compound spaces. The company combines access to in-house produced screening compounds (4 million compounds in stock) and compound building blocks (300,000 compounds in stock) with a comprehensive platform that includes comprehensive drug discovery services to support drug discovery efforts. is moving forward and accelerating.
Please see the following website for details: https://enamine.net About the Enamine REAL database
The EnamineREAL® database (REadily AccesibLe) is a collection of over 38 billion molecules that can be synthesized and provided by Enamine in an extremely rapid (3-4 weeks), highly feasible (More details about this release:
https://prtimes.jp/main/html/rd/p/000000004.000123750.html