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Briefings in Bioinformatics|September 24, 2022
A review of biomedical datasets relating to drug discovery: a knowledge graph perspectiveStephen Bonner, Ian P Barrett, Cheng Ye, et al.
Journal of Cheminformatics|December 28, 2022
Human-in-the-loop assisted de novo molecular designIiris Sundin, Alexey Voronov, Haoping Xiao, et al.
Journal of Cheminformatics|January 12, 2021
Industry-scale application and evaluation of deep learning for drug target predictionNoé Sturm, Andreas Mayr, Thanh Le Van, et al.
Briefings in Bioinformatics|September 6, 2023
3D based generative PROTAC linker design with reinforcement learningBaiqing Li, Ting Ran, Hongming Chen
Journal of Chemical Information and Modeling|July 1, 2021
De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding SitesMingyuan Xu, Ting Ran, Hongming Chen
Current Opinion in Structural Biology|June 2, 2023
Application of message passing neural networks for molecular property predictionMiru Tang, Baiqing Li, Hongming Chen
Journal of Cheminformatics|May 2, 2026
Improving protein-ligand complex generation with force field guidanceHelen Lai, Tingyu Wang, Hassan Sirelkhatim, et al.
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