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Publication / 2022 / Angewandte Chemie

An extensive summary of applying bimetallic catalysis in stereodivergent synthesis.

Huo, Xi Wang, Zhang, Angewandte Chemie 134 (45), e202210086

Publication / 2023 / SCIENCE CHINA Chemistry

An extensive summary for the development of prochiral nucleophiles control

Wang, X., Peng, Y., Zhao, L. et al. Sci. China Chem. 66, 2238–2255 (2023).

Publication / 2023 / bioRxiv

A large-scaled pre-trained language model achieves SOTA performance on RNA donwstream tasks.

Xi Wang, Ruichu Gu, Zhiyuan Chen, Yongge Li, Xiaohong Ji, Guolin Ke, Han Wen bioRxiv 2023.07.11.548588;

Publication / 2025 / Journal of Chemical Information and Modeling

Automatic extraction of a substrate-aware descriptor for reaction performance prediction in allylic substitution.

J. Chem. Inf. Model. 2025, 65, 1, 312–325

Publication / 2025 / Artificial Intelligence Chemistry

Molecular chirality classification with enhanced spatial representation using learnable queries.

Peng, Y., Yu, G., Shi, R., Chen, L., Wang, X., Du, W., Huo, X., Yang, Y. Artificial Intelligence Chemistry 3(2), 100091 (2025).

Publication / 2025 / ICLR DeLTA

Data-Scarce Atropisomer Generation via Multi-Task Pretrained Classifier-Guided Diffusion

Chen, L., Wang, X., Yu, G., Shan, C., & Yang, Y. In ICLR 2025 DeLTA Workshop.

Publication / 2025 / Journal of Cheminformatics

An open-source online database of chiral ligands and catalysts for asymmetric synthesis.

Yu, G., Yu, K., Wang, X. et al. J Cheminform 17, 45 (2025)

Publication / 2025 / arXiv

A multimodal benchmark to evaluate LLMs on chemical reaction understanding from scientific literature.

Li, H., Fang, X., Li, Y., Huang, C., Wang, J., Wang, X., Bai, H., Hao, B., Lin, S., et al. arXiv:2512.23565 (2025).

Publication / 2026 / arXiv

A new training objective and diversity-promoting replay strategy for GFlowNets to address mode collapse in molecular generation.

Wang, X., Lu, W., & Wang, S. arXiv preprint arXiv:2603.00454, 2026.