Noah Weber
Geometric deep learning for drug discovery
#1about 2 minutes
Why many common diseases remain untreatable
Over 80% of pathogenic proteins are considered 'undruggable' because traditional inhibition methods are ineffective for them.
#2about 4 minutes
Introducing targeted protein degradation technology
This biotechnology shifts the paradigm from inhibiting symptoms to eliminating the cause of disease by degrading pathogenic proteins.
#3about 7 minutes
Using geometric deep learning for molecular data
Graphs provide a native, non-Euclidean way to represent complex molecular structures and interactions, which is essential for effective machine learning models.
#4about 11 minutes
An overview of the AI drug discovery pipeline
The process involves predicting protein-ligand interactions, generating molecular conformations, and using Bayesian optimization to find optimal candidates.
#5about 1 minute
Optimizing molecular poses with a fitness function
Bayesian optimization and active learning are used to efficiently search the high-dimensional space of molecular rotations and translations to find the best interaction.
#6about 3 minutes
Generating novel molecules with generative models
Generative models create entirely new linker molecules de novo, optimizing for properties like low toxicity and minimal energy during generation.
#7about 3 minutes
Building a cloud architecture for large-scale ML
A custom cloud architecture using AWS spot instances and persistent storage is necessary to handle the immense computational cost of geometric deep learning.
#8about 3 minutes
The key enablers for AI-driven drug discovery
Success requires a combination of high-quality data, advanced algorithms like geometric deep learning, cloud computing power, and an interdisciplinary team of domain experts.
#9about 9 minutes
Q&A on team collaboration and technical choices
The discussion covers the challenges of communication in interdisciplinary teams, the rationale for a multi-cloud strategy, and specific technical questions about the models.
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