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机译:
Institute of Image Processing and Pattern Recognition Shanghai Jiao Tong University and Key;
domain adaption; graph neural network; ligand binding residue; protein ligand interaction; transfer learning;
机译:Shanghai Jiao Tong University and Key Laboratory of System Controland Information Processing Reports Findings in Bioinformatics (Leveraging scaffold information to predict protein-ligand binding affinity with an empirical graph neural network)
机译:中山大学在网络上报告研究结果 Geometric Interaction Graph Neural Network for Predicting Protein-Ligand Binding Affinities from 3D Structures (GIGN)
机译:Leveraging scaffold information to predict protein–ligand binding affinity with an empirical graph neural network
机译:artificial neural network (aNN) velocity better identifies benign prostatic hyperplasia but not prostate cancer compared with psa velocity