AI Medical Compendium Journal:
Journal of bioinformatics and computational biology

Showing 1 to 10 of 73 articles

SS-DTI: A deep learning method integrating semantic and structural information for drug-target interaction prediction.

Journal of bioinformatics and computational biology Mar 25, 2025
Drug-target interaction (DTI) prediction is pivotal in drug discovery and repurposing, providing a more efficient alternative to traditional wet-lab experiments by saving time and resources and expediting the identification of potential targets. Curr...
Neural Networks, Computer Drug Discovery Deep Learning Drug Repositioning Pharmaceutical Preparations Computational Biology Semantics Proteins
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The use of 4D data-independent acquisition-based proteomic analysis and machine learning to reveal potential biomarkers for stress levels.

Journal of bioinformatics and computational biology Nov 15, 2024
Research suggests that individuals who experience prolonged exposure to stress may be at higher risk for developing psychological stress disorders. Currently, psychological stress is primarily evaluated by professional physicians using rating scales,...
Area Under Curve Adult Fibronectins Male Proteomics Support Vector Machine Stress, Psychological Algorithms Humans Machine Learning Biomarkers Female
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Improving drug-target interaction prediction through dual-modality fusion with InteractNet.

Journal of bioinformatics and computational biology Nov 11, 2024
In the drug discovery process, accurate prediction of drug-target interactions is crucial to accelerate the development of new drugs. However, existing methods still face many challenges in dealing with complex biomolecular interactions. To this end,...
Deep Learning Protein Binding Computational Biology Algorithms Drug Discovery Pharmaceutical Preparations Ligands Binding Sites Proteins Databases, Protein Neural Networks, Computer Machine Learning Humans
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Construction of a multi-tissue compound-target interaction network of Qingfei Paidu decoction in COVID-19 treatment based on deep learning and transcriptomic analysis.

Journal of bioinformatics and computational biology Jul 20, 2024
The Qingfei Paidu decoction (QFPDD) is a widely acclaimed therapeutic formula employed nationwide for the clinical management of coronavirus disease 2019 (COVID-19). QFPDD exerts a synergistic therapeutic effect, characterized by its multi-component,...
COVID-19 Drug Treatment Oleanolic Acid Drugs, Chinese Herbal Molecular Dynamics Simulation Deep Learning Antiviral Agents COVID-19 SARS-CoV-2 Gene Expression Profiling Transcriptome Molecular Docking Simulation Humans
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Gtie-Rt: A comprehensive graph learning model for predicting drugs targeting metabolic pathways in human.

Journal of bioinformatics and computational biology Jul 20, 2024
Drugs often target specific metabolic pathways to produce a therapeutic effect. However, these pathways are complex and interconnected, making it challenging to predict a drug's potential effects on an organism's overall metabolism. The mapping of dr...
Humans Neural Networks, Computer Models, Biological Drug Interactions Algorithms Computational Biology Machine Learning Metabolic Networks and Pathways Pharmaceutical Preparations
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MoRF_ESM: Prediction of MoRFs in disordered proteins based on a deep transformer protein language model.

Journal of bioinformatics and computational biology May 28, 2024
Molecular recognition features (MoRFs) are particular functional segments of disordered proteins, which play crucial roles in regulating the phase transition of membrane-less organelles and frequently serve as central sites in cellular interaction ne...
Computational Biology Databases, Protein Intrinsically Disordered Proteins Algorithms Deep Learning
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PfgPDI: Pocket feature-enabled graph neural network for protein-drug interaction prediction.

Journal of bioinformatics and computational biology May 27, 2024
Biomolecular interaction recognition between ligands and proteins is an essential task, which largely enhances the safety and efficacy in drug discovery and development stage. Studying the interaction between proteins and ligands can improve the unde...
Drug Discovery Deep Learning Protein Binding Humans Neural Networks, Computer Databases, Protein Pharmaceutical Preparations Ligands Computational Biology Proteins
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EnAMP: A novel deep learning ensemble antibacterial peptide recognition algorithm based on multi-features.

Journal of bioinformatics and computational biology Feb 26, 2024
Antimicrobial peptides (AMPs), as the preferred alternatives to antibiotics, have wide application with good prospects. Identifying AMPs through wet lab experiments remains expensive, time-consuming and challenging. Many machine learning methods have...
Neural Networks, Computer Algorithms Peptides Anti-Bacterial Agents Deep Learning
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Small groups in multidimensional feature space: Two examples of supervised two-group classification from biomedicine.

Journal of bioinformatics and computational biology Jan 10, 2024
Some biomedical datasets contain a small number of samples which have large numbers of features. This can make analysis challenging and prone to errors such as overfitting and misinterpretation. To improve the accuracy and reliability of analysis in ...
Reproducibility of Results Supervised Machine Learning
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Analyzing omics data by feature combinations based on kernel functions.

Journal of bioinformatics and computational biology Oct 18, 2023
Defining meaningful feature (molecule) combinations can enhance the study of disease diagnosis and prognosis. However, feature combinations are complex and various in biosystems, and the existing methods examine the feature cooperation in a single, f...
Machine Learning Algorithms
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