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Molecules (Basel, Switzerland)|February 15, 2022
Prediction of Compound Synthesis Accessibility Based on Reaction Knowledge GraphBaiqing Li, Hongming ChenCurrent Opinion in Structural Biology|June 2, 2023
Application of message passing neural networks for molecular property predictionMiru Tang, Baiqing Li, Hongming ChenBriefings in Bioinformatics|September 6, 2023
3D based generative PROTAC linker design with reinforcement learningBaiqing Li, Ting Ran, Hongming ChenJournal of Chemical Information and Modeling|November 3, 2025
Discovery of Novel MsbA Inhibitors with a Bivalent Molecular Generative ModelHaodi Qiu, Lei Wang, Baiqing Li, 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.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.Journal of Medicinal Chemistry|December 16, 2021
Can Generative-Model-Based Drug Design Become a New Normal in Drug Discovery?Hongming ChenJournal of Molecular Modeling|March 15, 2018
Reaction mechanism of organoselenium-catalyzed syn-dichlorination of alkenes: a DFT studyLijun Fu, Xueli Mu, Baiqing LiThe Journal of Chemical Physics|January 21, 2006
Optimal dynamic discrimination of similar [corrected] quantum systems in the presence of decoherenceBaiqing Li, Wusheng Zhu, Herschel RabitzPageof 23