SyntheticGestalt and Enamine are set to create a suite of artificial intelligence (AI) models, combining SyntheticGestalt’s research in AI with Enamine’s repository of chemical data.

SyntheticGestalt will lead the development of a pre-trained AI model designed to identify synthesizable drug-like candidates. The model will use Enamine’s REAL database, featuring 38 billion compounds, to facilitate pre-training and enhance predictive accuracy.

Enamine, known for its make-on-demand compounds, will integrate its REAL database into SyntheticGestalt’s Drug Discovery Service, which employs proprietary AI models.

This collaboration aims to streamline compound discovery initiatives, catering to both academic users and pharmaceutical companies.

As part of the collaboration, Enamine will expedite the synthesis of selected compounds within a remarkable timeframe of 3-4 weeks, providing quality pharmacological in vitro profiling data through in-house tests. This accelerated process is poised to significantly reduce the drug discovery cycle.

SyntheticGestalt plans to augment its pre-trained AI model using data from Enamine, making it the world’s largest pre-trained model based on 3D compound structures.

The resulting models will be shared on a joint research basis, offering a transformative approach to AI-driven drug discovery.

Business development director at Enamine, Iaroslava Kos, expressed enthusiasm about the collaboration, emphasising the potential of AI in drug discovery. She stated, “The promise provided by AI/ML powered computational designs in the discovery of new drugs cannot be underestimated.”

Koki Shimada, CEO at SyntheticGestalt, highlighted the significance of the collaboration in overcoming challenges faced by machine learning in drug discovery. “We believe that the ultra-large pre-trained model we are developing will enable a cosmic leap in AI drug discovery,” Shimada commented.

The joint efforts of SyntheticGestalt and Enamine are expected to showcase their pre-trained AI model’s performance at NVIDIA’s GTC Japan AI Day in March 2024.

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By GlobalData