Qi Yang

4PUBLICATIONS
3CO-AUTHORS
Knowledge representation and reasoningProcess control and simulationTheory and design of materialsComputational chemistry
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Publications (4)

|Mar 02, 2026
ReactionSeek: LLM-powered literature data mining and knowledge discovery in organic synthesis.

Jiawei Li, Minzhou Li, Qi Yang

|Jan 22, 2026
Synthetic Applicability Domain (SynAD): Navigating Chemical Space for Reliable AI-Driven Reaction Prediction.

Zhenzhi Tan, Qi Yang, Long Zhang

|Dec 10, 2025
Physicochemically Informed Axial Chirality Descriptors Enable Accurate Prediction of Atropisomeric Stability.

Haisong Xu, Tingting Du, Jiali Lin

|Feb 04, 2025
Highly Precise Prediction of Micro- and Supra-pK<sub>a</sub> Based on 3D Descriptors Integrating Non-Covalent Interactions.

Siyuan Liu, Qi Yang, Long Zhang

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