AIMC Topic: Drug Repositioning

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Mitigating cold-start problems in drug-target affinity prediction with interaction knowledge transferring.

Briefings in bioinformatics Jul 18, 2022
Predicting the drug-target interaction is crucial for drug discovery as well as drug repurposing. Machine learning is commonly used in drug-target affinity (DTA) problem. However, the machine learning model faces the cold-start problem where the mode...
Drug Discovery Drug Development Drug Repositioning Machine Learning
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D3AI-CoV: a deep learning platform for predicting drug targets and for virtual screening against COVID-19.

Briefings in bioinformatics May 13, 2022
Target prediction and virtual screening are two powerful tools of computer-aided drug design. Target identification is of great significance for hit discovery, lead optimization, drug repurposing and elucidation of the mechanism. Virtual screening ca...
Molecular Docking Simulation Humans Deep Learning SARS-CoV-2 Drug Repositioning Antiviral Agents COVID-19 Drug Treatment
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DTI-HETA: prediction of drug-target interactions based on GCN and GAT on heterogeneous graph.

Briefings in bioinformatics May 13, 2022
Drug-target interaction (DTI) prediction plays an important role in drug repositioning, drug discovery and drug design. However, due to the large size of the chemical and genomic spaces and the complex interactions between drugs and targets, experime...
Drug Repositioning Polymers Drug Interactions Neural Networks, Computer Drug Development
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Potential SARS-CoV-2 nonstructural proteins inhibitors: drugs repurposing with drug-target networks and deep learning.

Frontiers in bioscience (Landmark edition) Apr 1, 2022
BACKGROUND: In the current COVID-19 pandemic, with an absence of approved drugs and widely accessible vaccines, repurposing existing drugs is vital to quickly developing a treatment for the disease.
Humans Pandemics Deep Learning Drug Repositioning COVID-19 Drug Treatment SARS-CoV-2 Molecular Docking Simulation Viral Proteins Network Pharmacology
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A deep learning method for repurposing antiviral drugs against new viruses via multi-view nonnegative matrix factorization and its application to SARS-CoV-2.

Briefings in bioinformatics Jan 17, 2022
The outbreak of COVID-19 caused by SARS-coronavirus (CoV)-2 has made millions of deaths since 2019. Although a variety of computational methods have been proposed to repurpose drugs for treating SARS-CoV-2 infections, it is still a challenging task f...
Humans Drug Repositioning COVID-19 Deep Learning SARS-CoV-2 Molecular Docking Simulation COVID-19 Drug Treatment Antiviral Agents
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HINGRL: predicting drug-disease associations with graph representation learning on heterogeneous information networks.

Briefings in bioinformatics Jan 17, 2022
Identifying new indications for drugs plays an essential role at many phases of drug research and development. Computational methods are regarded as an effective way to associate drugs with new indications. However, most of them complete their tasks ...
Information Services Machine Learning Algorithms Computational Biology Models, Theoretical Pharmaceutical Preparations Humans Drug Repositioning Disease Neural Networks, Computer
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Prediction of drug-disease associations by integrating common topologies of heterogeneous networks and specific topologies of subnets.

Briefings in bioinformatics Jan 17, 2022
MOTIVATION: The development process of a new drug is time-consuming and costly. Thus, identifying new uses for approved drugs, named drug repositioning, is helpful for speeding up the drug development process and reducing development costs. Existing ...
Neural Networks, Computer Algorithms Drug Repositioning
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Combining Literature Mining and Machine Learning for Predicting Biomedical Discoveries.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2022
The major outcomes and insights of scientific research and clinical study end up in the form of publication or clinical record in an unstructured text format. Due to advancements in biomedical research, the growth of published literature is getting t...
Machine Learning Drug Repositioning Biomedical Research Data Mining
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Fighting COVID-19 with Artificial Intelligence.

Methods in molecular biology (Clifton, N.J.) Jan 1, 2022
The development of vaccines for the treatment of COVID-19 is paving the way for new hope. Despite this, the risk of the virus mutating into a vaccine-resistant variant still persists. As a result, the demand of efficacious drugs to treat COVID-19 is ...
COVID-19 Drug Treatment Host-Pathogen Interactions Structure-Activity Relationship Molecular Structure SARS-CoV-2 Machine Learning Humans Antiviral Agents Animals COVID-19 Drug Discovery Artificial Intelligence Drug Repositioning
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Artificial Intelligence and Precision Medicine: A Perspective.

Advances in experimental medicine and biology Jan 1, 2022
This article aims to present how the advanced solutions of artificial intelligence and precision medicine work together to refine medical management. Multi-omics seems the most suitable approach for biological analysis of data on precision medicine a...
Precision Medicine Drug Repositioning Humans Artificial Intelligence Pandemics COVID-19
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