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MolDAIS: smarter Bayesian optimization for molecular discovery
11:38
YouTubeAI x biology
MolDAIS: smarter Bayesian optimization for molecular discovery
This video summarizes the paper “Adaptive subspace Bayesian optimization over molecular descriptor libraries for data-efficient chemical design” by Farshud Sorourifar, Thomas Banker, and Joel Paulson (Digital Discovery, 2025). The authors introduce MolDAIS (Molecular Descriptors with Actively Identified Subspaces), a Bayesian optimisation ...
2 days ago
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