Pharma Focus Asia

SyntheticGestalt and Enamine Forge Partnership to Develop AI-Driven Model for Streamlining Drug Discovery

Friday, January 12, 2024

SyntheticGestalt and Enamine, both prominent in AI-driven life sciences research and chemical building blocks, have jointly initiated a project to develop AI models for generating biologically active compounds with enhanced physicochemical and ADME/Tox properties. This initiative aims to benefit SyntheticGestalt's compound discovery efforts and services provided to academic and pharmaceutical partners.

The Enamine REAL database, featuring 38 billion make-on-demand compounds, will be seamlessly integrated into SyntheticGestalt's Drug Discovery Service. This service employs proprietary AI models for predicting compound properties and offers immediate suggestions for improvement when issues are detected.

To expedite the discovery process, Enamine commits to synthesizing selected compounds within 3-4 weeks, providing in vitro pharmacological profiling data through in-house tests.

SyntheticGestalt plans to augment its pre-trained AI model using data from Enamine, aspiring to create the world's largest pre-trained model based on 3D compound structures. This development aims to enhance the predictive accuracy of SyntheticGestalt's machine learning models. The resulting models will be made available for collaborative research, with the pre-trained AI model's performance showcased at NVIDIA's GTC Japan AI Day in March 2024.

Iaroslava Kos, Director of Business Development at Enamine, expressed excitement about the collaboration, emphasizing the potential of AI/ML in drug discovery. Koki Shimada, CEO at SyntheticGestalt, highlighted the significance of using real-world data for AI model development, stating that the collaboration with Enamine's REAL database aligns perfectly with their goals and has the potential to revolutionize AI drug discovery.



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