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Biomedicine & Pharmacotherapy = Biomedecine & Pharmacotherapie|August 8, 2025
Deep learning model enables the discovery of a novel BET inhibitor YD-851Hongyin Sun, Guoli Xiong, Xin Li, et al.Journal of Medicinal Chemistry|June 1, 2022
TocoDecoy: A New Approach to Design Unbiased Datasets for Training and Benchmarking Machine-Learning Scoring FunctionsXujun Zhang, Chao Shen, Ben Liao, et al.Theranostics|January 3, 2024
Combined BET and MEK Inhibition synergistically suppresses melanoma by targeting YAP1Rui Hu, Huihui Hou, Yao Li, et al.Nature Communications|October 1, 2025
Unified and explainable molecular representation learning for imperfectly annotated data from the hypergraph viewBowen Wang, Junyou Li, Donghao Zhou, et al.Journal of Medicinal Chemistry|September 6, 2022
ChemistGA: A Chemical Synthesizable Accessible Molecular Generation Algorithm for Real-World Drug DiscoveryJike Wang, Xiaorui Wang, Huiyong Sun, et al.Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|May 5, 2024
HydrogelFinder: A Foundation Model for Efficient Self-Assembling Peptide Discovery Guided by Non-Peptidal Small MoleculesXuanbai Ren, Jiaying Wei, Xiaoli Luo, et al.Frontiers in Cardiovascular Medicine|June 1, 2022
Long Short-Term Memory Network for Development and Simulation of Warfarin Dosing Model Based on Time Series Anticoagulant DataYun Kuang, Yaxin Liu, Qi Pei, et al.Nucleic Acids Research|April 4, 2024
ADMETlab 3.0: an updated comprehensive online ADMET prediction platform enhanced with broader coverage, improved performance, API functionality and decision supportLi Fu, Shaohua Shi, Jiacai Yi, et al.Journal of Natural Products|February 15, 2024
A Very Deep Graph Convolutional Network for <sup>13</sup>C NMR Chemical Shift Calculations with Density Functional Theory Level Performance for Structure AssignmentWen-Jing Ai, Jing Li, Dongsheng Cao, et al.RSC Advances|August 5, 2024
Binding uric acid: a pure chemical solution for the treatment of hyperuricemiaYun-Yun Li, Jing Li, Yan Li, et al.Pageof 17