المؤلفون: Yanling Wu, Kun Li, Menglong Li, Xuemei Pu, Yanzhi Guo

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Molecular Biology, Pharmacology, Biotechnology, Infectious Diseases, Virology, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, yields satisfactory predictions, molecular graphs ready, molecular docking simulations, graph neural network, graph isomorphism network, extensive literature searching, de novo <, binding affinity values, graph attention network, 2 main protease, 18 drug hits, potential therapeutic effects, drug repurposing hub, effective activity prediction, 19 therapy compared, unseen mpro inhibitors, optimal gat model

Relation: https://figshare.com/articles/journal_contribution/Attention_Mechanism-Based_Graph_Neural_Network_Model_for_Effective_Activity_Prediction_of_SARS-CoV_2_Main_Protease_Inhibitors_Application_to_Drug_Repurposing_as_Potential_COVID-19_Therapy/24558466

الاتاحة: https://doi.org/10.1021/acs.jcim.3c01280.s001
https://figshare.com/articles/journal_contribution/Attention_Mechanism-Based_Graph_Neural_Network_Model_for_Effective_Activity_Prediction_of_SARS-CoV_2_Main_Protease_Inhibitors_Application_to_Drug_Repurposing_as_Potential_COVID-19_Therapy/24558466