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cs.AI2026
PharmAgents2: Towards Autonomous End-to-End Drug Discovery
Haichuan Tan, Bowen Gao, Tao Huang +22
Drug discovery requires continuous scientific decision-making across a vast research space. We introduce PharmAgents2, an autonomous system for end-to-end drug discovery that combi…
cs.LG2026
Generative Retrieval for Reverse Target Fishing with a Proteome-Scale Benchmark
Zhichao Deng, Haichuan Tan, Xin Hong +4
Reverse target fishing identifies protein targets for a query molecule and is central to drug discovery and repurposing. Discriminative approaches adapted from virtual screening fa…