【研究简介】

利用自动化、高通量、人工智能等现代化学技术，开发新型合成方法学，建立人工智能反应预测模型，聚焦PLPRO等呼吸系统疾病靶标开展新药研发。

1.合成方法学：围绕惰性化学键（碳氢键、碳碳键等）精准转化，定向开发方法学。

2.反应预测模型：利用自动化高通量技术，收集标准化的反应数据，建立人工智能反应预测模型，实现合成路径、反应条件或反应结果的精准预测，目前在研项目包括脱羧偶联、碳氢活化、多组分反应、不对称催化、光催化等类型的反应或反应体系。

3.呼吸系统疾病新药研发：开发新型化合物库合成以及活性筛选工具，研发抗冠状病毒的小分子药物。

【荣誉奖励】

1. 广东青年五四奖章

2. 广州市最美科技工作者

3. 国家重大人才项目（青年）

4. 广州市优秀专家

5. 广州市黄埔区优秀人才

【代表性成果】

1.Kuangbiao Liao, Solymar Negretti, Djamaladdin G. Musaev, John Bacsa & Huw M. L. Davies. 2016. Site-selective and stereoselective functionalization of unactivated C–H bonds. Nature. 533 (230–234).

2.Kuangbiao Liao, Thomas C. Pickel, Vyacheslav Boyarskikh, John Bacsa, Djamaladdin G. Musaev & Huw M. L. Davies. 2017. Site-selective anstereoselective functionalization of non-activated tertiary C–H bonds. Nature. 551 (609–613).

3.Kuangbiao Liao,Yun-Fang Yang,Yingzi Li,Jacob N. Sanders,K. N. Houk,Djamaladdin G. Musaev &Huw M. L. Davies. 2018. Design of catalysts for site-selective and enantioselective functionalization of non-activated primary C–H bonds. Nature Chemistry. 10(1048–1055).

4.Huw M. L. Davies & Kuangbiao Liao. 2019. Dirhodium tetracarboxylates as catalysts for selective intermolecular C–H functionalization. Nature Reviews Chemistry. 3 (347–360).

5.Jia Qiu#, Jiancong Xie#, Shimin Su, Yadong Gao, Han Meng, Yuedong Yang* & Kuangbiao Liao*. 2022. Selective Functionalization of Hindered meta-C–H bond of o-Alkylaryl Ketones Promoted by Automation and Deep Learning. Chem. 8 (3275-3287).

6.Jia Qiu, Yougen Xu, Shimin Su, Yadong Gao, Peiyuan Yu, Zhixiong Ruan* & Kuangbiao Liao*. 2023. Auto Machine Learning Assisted Preparation of Carboxylic Acid by TEMPO-Catalyzed Primary Alcohol Oxidation. Chin. J. Chem. 41 (143-150).

7.Yougen Xu, Feixiao Ren, Lebin Su*, Zhaoping Xiong, Xinwei Zhu, Xinyuan Lin, Nan Qiao, Hao Tian, Changen Tian & Kuangbiao Liao*. 2023. HTE and machine learning-assisted development of iridium (I)-catalyzed selective O–H bond insertion reactions toward carboxymethyl ketones. Org. Chem. Front. 10 (1153-1159).

8.Zhunzhun Yu, Yaxian Kong, Baiqing Li, Shimin Su, Jianhang Rao, Yadong Gao, Tianyong Tu, Hongming Chen* & Kuangbiao Liao*. 2023. HTE and AI-Assisted Development of DHP Catalyzed Decarboxylative Selenation. Chem. Comm. 59 (2935-2938).

9.Yougen Xu, Yadong Gao, Lebin Su*, Haiting Wu, Hao Tian, Majian Zeng, Chunqiu Xu, Xinwei Zhu & Kuangbiao Liao*. 2023. High-Throughput Experimentation and Machine Learning-Assisted Optimization of Iridium-Catalyzed Cross-Dimerization of Sulfoxonium Ylides. Angew. Chem. Int. Ed. 62, e202313638.

10. 一种由尿素衍生物制备1-萘胺类化合物的方法及其预测模型. 中国. ZL 2023 1 0307448.7. 2023年07月18日. 廖矿标，苏乐斌