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Botao Yu

المنشورات 2

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FREA: A Multi-Source Expert Benchmark for Reaction Feasibility Verification

Botao Yu, Bo Zhou, Daniel Adu-Ampratwum وآخرون · 2026

As generative models and AI agents propose chemical reactions at a scale beyond expert review, feasibility verifiers decide which proposals enter synthesis planning. But do their decisions agree with chemists across different kinds of candidates? We introduce FREA, a benchmark of 751 reactions labeled by expert chemist …

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From Retrieval to Reasoning: Agentic Mechanism Prediction from Cell Painting Profiles

Jiayuan Chen, Botao Yu, Tianyu Liu وآخرون · 2026

Cell Painting is a high-content morphological profiling assay widely used for phenotype-based biological inference, with mechanism of action (MOA) prediction as a central application. Existing approaches largely formulate Cell Painting-based inference as representation matching, assigning predictions from nearby refere …

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