AIMC Topic: Drug Repositioning

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Natural Language Processing for Drug Discovery Knowledge Graphs: Promises and Pitfalls.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2024
Building and analyzing knowledge graphs (KGs) to aid drug discovery is a topical area of research. A salient feature of KGs is their ability to combine many heterogeneous data sources in a format that facilitates discovering connections. The utility ...
Drug Discovery Natural Language Processing Humans Drug Repositioning Pattern Recognition, Automated
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Comprehensive Review on Drug-target Interaction Prediction - Latest Developments and Overview.

Current drug discovery technologies Jan 1, 2024
Drug-target interactions (DTIs) are an important part of the drug development process. When the drug (a chemical molecule) binds to a target (proteins or nucleic acids), it modulates the biological behavior/function of the target, returning it to its...
Molecular Docking Simulation Drug Discovery Humans Machine Learning Pharmaceutical Preparations Ligands Proteins Drug Repositioning
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Drug repurposing for viral cancers: A paradigm of machine learning, deep learning, and virtual screening-based approaches.

Journal of medical virology Apr 1, 2023
Cancer management is major concern of health organizations and viral cancers account for approximately 15.4% of all known human cancers. Due to large number of patients, efficient treatments for viral cancers are needed. De novo drug discovery is tim...
Humans Drug Discovery Deep Learning Machine Learning Neoplasms Drug Repositioning Early Detection of Cancer
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Interpretable deep learning translation of GWAS and multi-omics findings to identify pathobiology and drug repurposing in Alzheimer's disease.

Cell reports Nov 29, 2022
Translating human genetic findings (genome-wide association studies [GWAS]) to pathobiology and therapeutic discovery remains a major challenge for Alzheimer's disease (AD). We present a network topology-based deep learning framework to identify dise...
Alzheimer Disease Deep Learning Gemfibrozil Genome-Wide Association Study Humans Drug Repositioning Retrospective Studies
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Deep learning identifies explainable reasoning paths of mechanism of action for drug repurposing from multilayer biological network.

Briefings in bioinformatics Nov 19, 2022
The discovery and repurposing of drugs require a deep understanding of the mechanism of drug action (MODA). Existing computational methods mainly model MODA with the protein-protein interaction (PPI) network. However, the molecular interactions of dr...
Humans Artificial Intelligence Algorithms Deep Learning Proteins Drug Repositioning
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A new framework for drug-disease association prediction combing light-gated message passing neural network and gated fusion mechanism.

Briefings in bioinformatics Nov 19, 2022
With the development of research on the complex aetiology of many diseases, computational drug repositioning methodology has proven to be a shortcut to costly and inefficient traditional methods. Therefore, developing more promising computational met...
Computational Biology Drug Repositioning Neural Networks, Computer Algorithms
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MHADTI: predicting drug-target interactions via multiview heterogeneous information network embedding with hierarchical attention mechanisms.

Briefings in bioinformatics Nov 19, 2022
MOTIVATION: Discovering the drug-target interactions (DTIs) is a crucial step in drug development such as the identification of drug side effects and drug repositioning. Since identifying DTIs by web-biological experiments is time-consuming and costl...
Drug Interactions Information Services Drug Repositioning Neural Networks, Computer Drug Development
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A geometric deep learning framework for drug repositioning over heterogeneous information networks.

Briefings in bioinformatics Nov 19, 2022
Drug repositioning (DR) is a promising strategy to discover new indicators of approved drugs with artificial intelligence techniques, thus improving traditional drug discovery and development. However, most of DR computational methods fall short of t...
Information Services Computational Biology Drug Repositioning Artificial Intelligence Algorithms Molecular Docking Simulation Deep Learning
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AttentionSiteDTI: an interpretable graph-based model for drug-target interaction prediction using NLP sentence-level relation classification.

Briefings in bioinformatics Jul 18, 2022
In this study, we introduce an interpretable graph-based deep learning prediction model, AttentionSiteDTI, which utilizes protein binding sites along with a self-attention mechanism to address the problem of drug-target interaction prediction. Our pr...
Drug Repositioning Drug Development Natural Language Processing Proteins Protein Binding
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Contexts and contradictions: a roadmap for computational drug repurposing with knowledge inference.

Briefings in bioinformatics Jul 18, 2022
The cost of drug development continues to rise and may be prohibitive in cases of unmet clinical need, particularly for rare diseases. Artificial intelligence-based methods are promising in their potential to discover new treatment options. The task ...
Publications Knowledge Drug Repositioning Artificial Intelligence Proteins
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