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20212026
most citedEfficient Bayesian Optimization with Deep Kernel Learning and Transformer Pre-trained on Multiple Heterogeneous Datasets

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cs.AI2026

DrugTargetWorld: A Synthetic Biobank for Training and Benchmarking AI Scientists

Samuel Margolis, Paul Schmiedmayer, Alan Huang +12

Drug target discovery requires distinguishing molecules that causally drive disease from those that are merely associated with it. Training and evaluating AI agents to perform this…