Gradient Dissent: Conversations on AI Accelerating drug discovery with AI: Insights from Isomorphic Labs
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Apr 25, 2024 
Max Jaderberg and Sergei Yakneen from Isomorphic Labs discuss AI in drug discovery, focusing on deep learning advancements, evolving AI models for drug design, input granularity in NLP and biology data, overlaps in material science and biology, the role of diverse datasets in AI-driven drug discovery, and machine learning applications in neuroscience.
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Rational Drug Design Focus
- Drug discovery is more about rational drug design than random discovery.
- It requires designing molecules that precisely modulate disease pathways with desired effects and minimal side effects.
Global Models Transform Drug Discovery
- Early ML in drug discovery relied on local models limited to small datasets.
- Now global models like AlphaFold generalize to novel proteins, vastly improving drug design.
Multiple Scale Models Needed
- Multiple foundation models are needed for biology due to different scales from quantum to organs.
- Integrating these models across scales is an open, important research question.