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🟩 Iambic and Revolution Medicines partnered on AI Drug Discovery
Revolution Medicines, a late-stage clinical oncology company, and Iambic Therapeutics, an AI-driven drug discovery company, have announced a multi-year technology and research collaboration to pursue novel drug candidates using Iambic’s AI models (Iambic and Revolution Medicines Partner on AI Cancer Drug Discovery). During this collaboration Iambic will use Revolution Medicine’s structures and molecular libraries to train a bespoke version of NeuralPLexer, Iambic’s AI model for protein-ligand structure prediction.
Iambic.AI (Iambic Therapeutics formerly known as Entos LLC) is developing physics-based AI algorithms to drive a high-throughput experimental platform, converting 🆕 molecular designs to 🆕 biological insights with: 🔶 NeuralPLexer a protein-ligand structure prediction 3D physics-based equivariant generative diffusion tool, 🔶 OrbNet an AI-accelerated quantum chemistry Graph neural network architecture based on quantum features, 🔶 PropANE a multi-endpoint property prediction tool, and 🔶 Magnet offering generative molecular design. Moreover, on October 29, 2024 Iambic Therapeutics announced Enchant™, a multi-modal transformer model designed to provide predictive insights into clinical properties of potential medicines from the earliest stages of drug discovery (Iambic Therapeutics Announces “Enchant,” an AI Platform that Predicts Clinical Outcomes from the Earliest Stages of Drug Discovery).
In particular, NeuralPLexer3 (Accurate Biomolecular Complex Structure Prediction with Flow Models) is a physics-inspired flow-based generative model that achieves state-of-the-art prediction accuracy on key biomolecular interaction types and improves training and sampling efficiency compared to its predecessors and alternative methodologies. Examined through newly developed benchmarking strategies, NeuralPLexer3 excels in vital areas that are crucial to structure-based drug design, such as physical validity and ligand-induced conformational changes.