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Nature Reviews. Chemistry|September 30, 2020
Dirhodium tetracarboxylates as catalysts for selective intermolecular C-H functionalizationHuw M L Davies, Kuangbiao LiaoChemical Science|June 9, 2025
Intermediate knowledge enhanced the performance of the amide coupling yield prediction modelChonghuan Zhang, Qianghua Lin, Chenxi Yang, et al.Nature|May 13, 2016
Site-selective and stereoselective functionalization of unactivated C-H bondsKuangbiao Liao, Solymar Negretti, Djamaladdin G Musaev, et al.Journal of the American Chemical Society|August 17, 2022
Leveraging Regio- and Stereoselective C(sp3)-H Functionalization of Silyl Ethers to Train a Logistic Regression Classification Model for Predicting Site-Selectivity BiasYannick T Boni, Ryan C Cammarota, Kuangbiao Liao, et al.Chemical Science|November 27, 2024
SynAsk: unleashing the power of large language models in organic synthesisChonghuan Zhang, Qianghua Lin, Biwei Zhu, et al.Nature|November 21, 2017
Site-selective and stereoselective functionalization of non-activated tertiary C-H bondsKuangbiao Liao, Thomas C Pickel, Vyacheslav Boyarskikh, et al.Journal of Chemical Information and Modeling|March 20, 2025
Enhanced Regioselectivity Prediction of sp2 C-H Halogenation via Negative Data Augmentation and Multimodel IntegrationZhiting Zhang, Jia Qiu, Jiajun Zheng, et al.Chemical Communications (Cambridge, England)|February 17, 2023
HTE- and AI-assisted development of DHP-catalyzed decarboxylative selenationZhunzhun Yu, Yaxian Kong, Baiqing Li, et al.Angewandte Chemie (International Ed. in English)|October 10, 2023
High-Throughput Experimentation and Machine Learning-Assisted Optimization of Iridium-Catalyzed Cross-Dimerization of Sulfoxonium YlidesYougen Xu, Yadong Gao, Lebin Su, et al.Journal of Cheminformatics|August 11, 2023
A deep learning framework for accurate reaction prediction and its application on high-throughput experimentation dataBaiqing Li, Shimin Su, Chan Zhu, et al.Pageof 2