Atomwise

Numerion Labs: Revolutionizing Drug Discovery with AI

Numerion Labs is at the forefront of AI-driven drug discovery, developing cutting-edge machine learning algorithms to accelerate the creation of life-saving medicines. Through the innovative integration of computational chemistry, structural biology, and medicinal chemistry, Numerion Labs is pioneering the next generation of AI platforms for pharmaceutical research.

Numerion Labs Key Features

• APEX Protocol: This breakthrough computational protocol enables the ultra-fast screening of hyper-scalable virtual libraries. APEX can evaluate billions of compounds in mere seconds, dramatically reducing analysis time from months to seconds.
• COSMOS Foundation Model: Leveraging Numerion's structure-based, generative pre-trained foundation model, APEX prioritizes compounds with genuine biological relevance. COSMOS is trained to predict molecular binding and function, identifying molecules most likely to bind disease targets with optimal drug-like properties.
• Enabling Exhaustive Chemical Space Exploration: Unlike traditional methods that assess less than 0.1% of compounds, APEX's ability to virtually evaluate billions of molecules allows for a comprehensive and rapid exploration of chemical space, ensuring no promising candidates are overlooked.
• GPU-Accelerated Performance: By pairing deep learning surrogates with GPU-accelerated enumeration, APEX achieves remarkable speed, capable of retrieving the top million biologically promising compounds from a 10-billion-compound library in under 30 seconds on a single NVIDIA GPU.
• Broad Target Applicability: Benchmark tests demonstrate APEX's success in identifying high-scoring compounds across a diverse range of protein targets, including kinases, GPCRs, proteases, and nuclear receptors.