CyclePermea: Membrane Permeability Prediction of Cyclic Peptides with a Multi-Loss Fusion Network
IJCNN（2024）
关键词
Membrane Permeability,Cyclic Peptides,Peptide Prediction,Permeability Prediction,Loss Function,Distinct Features,Sequence Information,Unique Structure,Deep Learning Models,Self-supervised Learning,Contrastive Loss,Pearson Correlation,Small Molecules,Machine Learning,Model Performance,Training Set,Sample Characteristics,Molecular Dynamics Simulations,Quantitative Structure–property Relationship,Cyclic Structure,Graph Attention Network,Graph Convolutional Network,Graph-based Models,Morgan Fingerprints,Attention Mechanism,Molecular Fingerprints,SMILES Strings,Tanimoto Similarity
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